4-[6-[(3R)-3-aminopiperidin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine-3-carbonitrile;tert-butyl N-[(3R)-1-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]-2-pyridinyl]piperidin-3-yl]carbamate;tert-butyl N-[(3S)-1-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]-2-pyridinyl]piperidin-3-yl]carbamate;4-[6-[4-hydroxy-4-(pyridin-2-ylmethyl)piperidin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine-3-carbonitrile

C100H104N36O5 — CID 165083677

IUPAC4-[6-[(3R)-3-aminopiperidin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine-3-carbonitrile;tert-butyl N-[(3R)-1-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]-2-pyridinyl]piperidin-3-yl]carbamate;tert-butyl N-[(3S)-1-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]-2-pyridinyl]piperidin-3-yl]carbamate;4-[6-[4-hydroxy-4-(pyridin-2-ylmethyl)piperidin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine-3-carbonitrile
SMILESCn1cc(-c2cn3ncc(C#N)c3c(-c3ccc(N4CCC(O)(Cc5ccccn5)CC4)nc3)n2)cn1.Cn1cc(-c2cn3ncc(C#N)c3c(-c3ccc(N4CCC[C@@H](N)C4)nc3)n2)cn1.Cn1cc(-c2cn3ncc(C#N)c3c(-c3ccc(N4CCC[C@@H](NC(=O)OC(C)(C)C)C4)nc3)n2)cn1.Cn1cc(-c2cn3ncc(C#N)c3c(-c3ccc(N4CCC[C@H](NC(=O)OC(C)(C)C)C4)nc3)n2)cn1
InChIInChI=1S/C27H25N9O.2C26H29N9O2.C21H21N9/c1-34-17-21(16-31-34)23-18-36-26(20(13-28)15-32-36)25(33-23)19-5-6-24(30-14-19)35-10-7-27(37,8-11-35)12-22-4-2-3-9-29-22;2*1-26(2,3)37-25(36)31-20-6-5-9-34(15-20)22-8-7-17(11-28-22)23-24-18(10-27)12-30-35(24)16-21(32-23)19-13-29-33(4)14-19;1-28-11-16(10-25-28)18-13-30-21(15(7-22)9-26-30)20(27-18)14-4-5-19(24-8-14)29-6-2-3-17(23)12-29/h2-6,9,14-18,37H,7-8,10-12H2,1H3;2*7-8,11-14,16,20H,5-6,9,15H2,1-4H3,(H,31,36);4-5,8-11,13,17H,2-3,6,12,23H2,1H3/t;2*20-;17-/m.101/s1
InChIKeyVNRRCINNXMCHQY-LIKMIODTSA-N
MW1890.18 g/mol
LogP12.14
Rot. Bonds16

About 4-[6-[(3R)-3-aminopiperidin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine-3-carbonitrile;tert-butyl N-[(3R)-1-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]-2-pyridinyl]piperidin-3-yl]carbamate;tert-butyl N-[(3S)-1-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]-2-pyridinyl]piperidin-3-yl]carbamate;4-[6-[4-hydroxy-4-(pyridin-2-ylmethyl)piperidin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine-3-carbonitrile

4-[6-[(3R)-3-aminopiperidin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine-3-carbonitrile;tert-butyl N-[(3R)-1-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]-2-pyridinyl]piperidin-3-yl]carbamate;tert-butyl N-[(3S)-1-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]-2-pyridinyl]piperidin-3-yl]carbamate;4-[6-[4-hydroxy-4-(pyridin-2-ylmethyl)piperidin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine-3-carbonitrile (PubChem CID 165083677) has the molecular formula C100H104N36O5 and a molecular weight of 1890.18 g/mol. Its IUPAC name is 4-[6-[(3R)-3-aminopiperidin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine-3-carbonitrile;tert-butyl N-[(3R)-1-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]-2-pyridinyl]piperidin-3-yl]carbamate;tert-butyl N-[(3S)-1-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]-2-pyridinyl]piperidin-3-yl]carbamate;4-[6-[4-hydroxy-4-(pyridin-2-ylmethyl)piperidin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine-3-carbonitrile.

Molecular Properties

Compound Name4-[6-[(3R)-3-aminopiperidin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine-3-carbonitrile;tert-butyl N-[(3R)-1-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]-2-pyridinyl]piperidin-3-yl]carbamate;tert-butyl N-[(3S)-1-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]-2-pyridinyl]piperidin-3-yl]carbamate;4-[6-[4-hydroxy-4-(pyridin-2-ylmethyl)piperidin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine-3-carbonitrile
PubChem CID165083677
Molecular FormulaC100H104N36O5
Molecular Weight1890.18 g/mol
Exact Mass1888.90
IUPAC Name4-[6-[(3R)-3-aminopiperidin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine-3-carbonitrile;tert-butyl N-[(3R)-1-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]-2-pyridinyl]piperidin-3-yl]carbamate;tert-butyl N-[(3S)-1-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]-2-pyridinyl]piperidin-3-yl]carbamate;4-[6-[4-hydroxy-4-(pyridin-2-ylmethyl)piperidin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine-3-carbonitrile
SMILESCn1cc(-c2cn3ncc(C#N)c3c(-c3ccc(N4CCC(O)(Cc5ccccn5)CC4)nc3)n2)cn1.Cn1cc(-c2cn3ncc(C#N)c3c(-c3ccc(N4CCC[C@@H](N)C4)nc3)n2)cn1.Cn1cc(-c2cn3ncc(C#N)c3c(-c3ccc(N4CCC[C@@H](NC(=O)OC(C)(C)C)C4)nc3)n2)cn1.Cn1cc(-c2cn3ncc(C#N)c3c(-c3ccc(N4CCC[C@H](NC(=O)OC(C)(C)C)C4)nc3)n2)cn1
InChIInChI=1S/C27H25N9O.2C26H29N9O2.C21H21N9/c1-34-17-21(16-31-34)23-18-36-26(20(13-28)15-32-36)25(33-23)19-5-6-24(30-14-19)35-10-7-27(37,8-11-35)12-22-4-2-3-9-29-22;2*1-26(2,3)37-25(36)31-20-6-5-9-34(15-20)22-8-7-17(11-28-22)23-24-18(10-27)12-30-35(24)16-21(32-23)19-13-29-33(4)14-19;1-28-11-16(10-25-28)18-13-30-21(15(7-22)9-26-30)20(27-18)14-4-5-19(24-8-14)29-6-2-3-17(23)12-29/h2-6,9,14-18,37H,7-8,10-12H2,1H3;2*7-8,11-14,16,20H,5-6,9,15H2,1-4H3,(H,31,36);4-5,8-11,13,17H,2-3,6,12,23H2,1H3/t;2*20-;17-/m.101/s1
InChIKeyVNRRCINNXMCHQY-LIKMIODTSA-N
XLogP12.14
TPSA487.52 Ų
H-Bond Donors4
H-Bond Acceptors39
Rotatable Bonds16
Heavy Atoms141
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001890.18
LogP ≤ 512.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1039

Analyze 4-[6-[(3R)-3-aminopiperidin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine-3-carbonitrile;tert-butyl N-[(3R)-1-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]-2-pyridinyl]piperidin-3-yl]carbamate;tert-butyl N-[(3S)-1-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]-2-pyridinyl]piperidin-3-yl]carbamate;4-[6-[4-hydroxy-4-(pyridin-2-ylmethyl)piperidin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine-3-carbonitrile with MolForge

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Launch Full Analysis

Related Compounds

4-[6-[(3R)-3-aminopiperidin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine-3-carbonitrile;2,2,2-trifluoroacetic acid
CID 135242331
tert-butyl N-methylcarbamate;6-(1-methylpyrazol-4-yl)-4-(6-piperidin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyrazine-3-carbonitrile
CID 142404155
4-[6-[(3R)-3-ethylpiperidin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine-3-carbonitrile
CID 165013733
6-(1-methylpyrazol-4-yl)-4-[6-(4-pyridin-2-yloxypiperidin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrazine-3-carbonitrile
CID 135242009
tert-butyl (2R)-2-[4-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]-2-pyridinyl]piperazine-1-carbonyl]-2-methylpyrrolidine-1-carboxylate
CID 153452994
6-(1-propan-2-ylpyrazol-4-yl)-4-[6-[(3S)-3-(pyridin-2-ylmethoxy)pyrrolidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrazine-3-carbonitrile
CID 168856816
4-[6-[4-[(2R)-2-amino-2-phenylpropanoyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine-3-carbonitrile
CID 135241914
6-(1-ethylpyrazol-4-yl)-4-[6-(4-ethyl-4-pyridin-2-ylpiperidin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrazine-3-carbonitrile
CID 162725614
(3S)-3-[4-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]-2-pyridinyl]piperazine-1-carbonyl]pyrrolidine-1-carboxylic acid
CID 135241309
N-[1-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]-2-pyridinyl]-3-methylpiperidin-3-yl]acetamide
CID 135240867
6-(1-methylpyrazol-4-yl)-4-[6-(1-oxo-1,4-thiazinan-4-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrazine-3-carbonitrile
CID 175803675
1-[5-[3-cyano-6-[1-(4-formylcyclohexyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-4-yl]-2-pyridinyl]-N-cyclobutyl-4-ethylpiperidine-4-carboxamide
CID 162726100

Frequently Asked Questions

What is the IUPAC name of 4-[6-[(3R)-3-aminopiperidin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine-3-carbonitrile;tert-butyl N-[(3R)-1-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]-2-pyridinyl]piperidin-3-yl]carbamate;tert-butyl N-[(3S)-1-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]-2-pyridinyl]piperidin-3-yl]carbamate;4-[6-[4-hydroxy-4-(pyridin-2-ylmethyl)piperidin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine-3-carbonitrile?
The IUPAC name of 4-[6-[(3R)-3-aminopiperidin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine-3-carbonitrile;tert-butyl N-[(3R)-1-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]-2-pyridinyl]piperidin-3-yl]carbamate;tert-butyl N-[(3S)-1-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]-2-pyridinyl]piperidin-3-yl]carbamate;4-[6-[4-hydroxy-4-(pyridin-2-ylmethyl)piperidin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine-3-carbonitrile (CID 165083677) is 4-[6-[(3R)-3-aminopiperidin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine-3-carbonitrile;tert-butyl N-[(3R)-1-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]-2-pyridinyl]piperidin-3-yl]carbamate;tert-butyl N-[(3S)-1-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]-2-pyridinyl]piperidin-3-yl]carbamate;4-[6-[4-hydroxy-4-(pyridin-2-ylmethyl)piperidin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine-3-carbonitrile.
What is the SMILES notation for 4-[6-[(3R)-3-aminopiperidin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine-3-carbonitrile;tert-butyl N-[(3R)-1-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]-2-pyridinyl]piperidin-3-yl]carbamate;tert-butyl N-[(3S)-1-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]-2-pyridinyl]piperidin-3-yl]carbamate;4-[6-[4-hydroxy-4-(pyridin-2-ylmethyl)piperidin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine-3-carbonitrile?
The canonical SMILES for 4-[6-[(3R)-3-aminopiperidin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine-3-carbonitrile;tert-butyl N-[(3R)-1-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]-2-pyridinyl]piperidin-3-yl]carbamate;tert-butyl N-[(3S)-1-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]-2-pyridinyl]piperidin-3-yl]carbamate;4-[6-[4-hydroxy-4-(pyridin-2-ylmethyl)piperidin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine-3-carbonitrile is Cn1cc(-c2cn3ncc(C#N)c3c(-c3ccc(N4CCC(O)(Cc5ccccn5)CC4)nc3)n2)cn1.Cn1cc(-c2cn3ncc(C#N)c3c(-c3ccc(N4CCC[C@@H](N)C4)nc3)n2)cn1.Cn1cc(-c2cn3ncc(C#N)c3c(-c3ccc(N4CCC[C@@H](NC(=O)OC(C)(C)C)C4)nc3)n2)cn1.Cn1cc(-c2cn3ncc(C#N)c3c(-c3ccc(N4CCC[C@H](NC(=O)OC(C)(C)C)C4)nc3)n2)cn1.
What is the InChIKey of 4-[6-[(3R)-3-aminopiperidin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine-3-carbonitrile;tert-butyl N-[(3R)-1-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]-2-pyridinyl]piperidin-3-yl]carbamate;tert-butyl N-[(3S)-1-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]-2-pyridinyl]piperidin-3-yl]carbamate;4-[6-[4-hydroxy-4-(pyridin-2-ylmethyl)piperidin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine-3-carbonitrile?
The InChIKey is VNRRCINNXMCHQY-LIKMIODTSA-N. The full InChI is InChI=1S/C27H25N9O.2C26H29N9O2.C21H21N9/c1-34-17-21(16-31-34)23-18-36-26(20(13-28)15-32-36)25(33-23)19-5-6-24(30-14-19)35-10-7-27(37,8-11-35)12-22-4-2-3-9-29-22;2*1-26(2,3)37-25(36)31-20-6-5-9-34(15-20)22-8-7-17(11-28-22)23-24-18(10-27)12-30-35(24)16-21(32-23)19-13-29-33(4)14-19;1-28-11-16(10-25-28)18-13-30-21(15(7-22)9-26-30)20(27-18)14-4-5-19(24-8-14)29-6-2-3-17(23)12-29/h2-6,9,14-18,37H,7-8,10-12H2,1H3;2*7-8,11-14,16,20H,5-6,9,15H2,1-4H3,(H,31,36);4-5,8-11,13,17H,2-3,6,12,23H2,1H3/t;2*20-;17-/m.101/s1.
What are the key properties of 4-[6-[(3R)-3-aminopiperidin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine-3-carbonitrile;tert-butyl N-[(3R)-1-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]-2-pyridinyl]piperidin-3-yl]carbamate;tert-butyl N-[(3S)-1-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]-2-pyridinyl]piperidin-3-yl]carbamate;4-[6-[4-hydroxy-4-(pyridin-2-ylmethyl)piperidin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine-3-carbonitrile?
4-[6-[(3R)-3-aminopiperidin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine-3-carbonitrile;tert-butyl N-[(3R)-1-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]-2-pyridinyl]piperidin-3-yl]carbamate;tert-butyl N-[(3S)-1-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]-2-pyridinyl]piperidin-3-yl]carbamate;4-[6-[4-hydroxy-4-(pyridin-2-ylmethyl)piperidin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine-3-carbonitrile has a molecular weight of 1890.18 g/mol, XLogP of 12.14, 16 rotatable bonds, 4 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[(3R)-3-aminopiperidin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine-3-carbonitrile;tert-butyl N-[(3R)-1-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]-2-pyridinyl]piperidin-3-yl]carbamate;tert-butyl N-[(3S)-1-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]-2-pyridinyl]piperidin-3-yl]carbamate;4-[6-[4-hydroxy-4-(pyridin-2-ylmethyl)piperidin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine-3-carbonitrile is sourced from PubChem (CID 165083677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).