6-bromo-N-methyl-5-(morpholin-2-ylmethyl)-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;ethane;methyl 5-[7-amino-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylate

C33H43BrN14O3 — CID 143656290

IUPAC6-bromo-N-methyl-5-(morpholin-2-ylmethyl)-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;ethane;methyl 5-[7-amino-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylate
SMILESCC.CNc1c(Br)c(CC2CNCCO2)nc2c(-c3cn[nH]c3)cnn12.COC(=O)C1CCC(c2cc(N)n3ncc(-c4cn[nH]c4)c3n2)CN1
InChIInChI=1S/C16H19N7O2.C15H18BrN7O.C2H6/c1-25-16(24)12-3-2-9(5-18-12)13-4-14(17)23-15(22-13)11(8-21-23)10-6-19-20-7-10;1-17-15-13(16)12(4-10-7-18-2-3-24-10)22-14-11(8-21-23(14)15)9-5-19-20-6-9;1-2/h4,6-9,12,18H,2-3,5,17H2,1H3,(H,19,20);5-6,8,10,17-18H,2-4,7H2,1H3,(H,19,20);1-2H3
InChIKeyOZTGGDAPBGMOMA-UHFFFAOYSA-N
MW763.71 g/mol
LogP3.19
Rot. Bonds7

About 6-bromo-N-methyl-5-(morpholin-2-ylmethyl)-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;ethane;methyl 5-[7-amino-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylate

6-bromo-N-methyl-5-(morpholin-2-ylmethyl)-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;ethane;methyl 5-[7-amino-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylate (PubChem CID 143656290) has the molecular formula C33H43BrN14O3 and a molecular weight of 763.71 g/mol. Its IUPAC name is 6-bromo-N-methyl-5-(morpholin-2-ylmethyl)-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;ethane;methyl 5-[7-amino-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylate.

Molecular Properties

Compound Name6-bromo-N-methyl-5-(morpholin-2-ylmethyl)-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;ethane;methyl 5-[7-amino-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylate
PubChem CID143656290
Molecular FormulaC33H43BrN14O3
Molecular Weight763.71 g/mol
Exact Mass762.28
IUPAC Name6-bromo-N-methyl-5-(morpholin-2-ylmethyl)-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;ethane;methyl 5-[7-amino-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylate
SMILESCC.CNc1c(Br)c(CC2CNCCO2)nc2c(-c3cn[nH]c3)cnn12.COC(=O)C1CCC(c2cc(N)n3ncc(-c4cn[nH]c4)c3n2)CN1
InChIInChI=1S/C16H19N7O2.C15H18BrN7O.C2H6/c1-25-16(24)12-3-2-9(5-18-12)13-4-14(17)23-15(22-13)11(8-21-23)10-6-19-20-7-10;1-17-15-13(16)12(4-10-7-18-2-3-24-10)22-14-11(8-21-23(14)15)9-5-19-20-6-9;1-2/h4,6-9,12,18H,2-3,5,17H2,1H3,(H,19,20);5-6,8,10,17-18H,2-4,7H2,1H3,(H,19,20);1-2H3
InChIKeyOZTGGDAPBGMOMA-UHFFFAOYSA-N
XLogP3.19
TPSA215.38 Ų
H-Bond Donors6
H-Bond Acceptors15
Rotatable Bonds7
Heavy Atoms51
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500763.71
LogP ≤ 53.19
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1015

Analyze 6-bromo-N-methyl-5-(morpholin-2-ylmethyl)-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;ethane;methyl 5-[7-amino-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylate with MolForge

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Related Compounds

2-[4-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyrazol-1-yl]propan-2-yl (2S,5S)-5-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylate
CID 58837309
2-[4-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyrazol-1-yl]propan-2-yl (2S,5S)-5-[7-amino-3-[1-[(2S,5S)-5-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carbonyl]oxy-2-methylpyrazol-2-ium-4-yl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylate
CID 58853397
methyl (2S,5S)-5-[7-amino-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylate
CID 71108781
2-[4-(7-Amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyrazol-1-yl]propan-2-yl 5-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylate
CID 72440012
2-[4-[7-amino-6-bromo-5-[(3S)-piperidin-3-yl]pyrazolo[1,5-a]pyrimidin-3-yl]pyrazol-1-yl]propan-2-yl (2S,5S)-5-[7-amino-3-[1-[[5-piperidin-3-yl-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylate
CID 89718050
Ethyl 2-[4-[3-[7-amino-3-[1-[3-(dimethylamino)-2-oxopropyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]phenyl]-2-[4-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyrazol-1-yl]acetate
CID 143440007
2-[4-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyrazol-1-yl]-N,N-dimethylacetamide;ethyl 2-[4-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyrazol-1-yl]-2-phenylacetate
CID 143656329
2-[4-[(5R)-7-amino-6-bromo-5-piperidin-3-yl-4,5-dihydropyrazolo[1,5-a]pyrimidin-3-yl]pyrazol-1-yl]propan-2-yl (2S,5S)-5-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylate
CID 152883895
6-bromo-5-piperidin-3-yl-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;tert-butyl (2S,5S)-5-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylate
CID 157260469
(2S,5S)-5-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid;1-O-tert-butyl 2-O-methyl (2S,5S)-5-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1,2-dicarboxylate
CID 158330073
5-(Azetidin-3-ylmethyl)-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1-methylpyrazol-4-yl)-5-(2-piperidin-2-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-(cyclohexylmethyl)-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;3-(1-methylpyrazol-4-yl)-5-(morpholin-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-(1-methylpyrazol-4-yl)-5-(1-piperidin-3-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-(1-methylpyrazol-4-yl)-5-(2-piperidin-2-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-(1-methylpyrazol-4-yl)-5-(piperidin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 158574730
(2S,5S)-N-(2-aminoethyl)-5-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxamide;(2S,5S)-5-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-methylpiperidine-2-carboxamide;[(2S,5S)-5-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]methyl acetate;(2S,5S)-5-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-propan-2-ylpiperidine-2-carboxamide;(2S,5S)-5-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-propylpiperidine-2-carboxamide;(2R,5S)-5-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-propylpiperidine-2-carboxamide
CID 158711099

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-methyl-5-(morpholin-2-ylmethyl)-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;ethane;methyl 5-[7-amino-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylate?
The IUPAC name of 6-bromo-N-methyl-5-(morpholin-2-ylmethyl)-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;ethane;methyl 5-[7-amino-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylate (CID 143656290) is 6-bromo-N-methyl-5-(morpholin-2-ylmethyl)-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;ethane;methyl 5-[7-amino-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylate.
What is the SMILES notation for 6-bromo-N-methyl-5-(morpholin-2-ylmethyl)-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;ethane;methyl 5-[7-amino-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylate?
The canonical SMILES for 6-bromo-N-methyl-5-(morpholin-2-ylmethyl)-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;ethane;methyl 5-[7-amino-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylate is CC.CNc1c(Br)c(CC2CNCCO2)nc2c(-c3cn[nH]c3)cnn12.COC(=O)C1CCC(c2cc(N)n3ncc(-c4cn[nH]c4)c3n2)CN1.
What is the InChIKey of 6-bromo-N-methyl-5-(morpholin-2-ylmethyl)-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;ethane;methyl 5-[7-amino-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylate?
The InChIKey is OZTGGDAPBGMOMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N7O2.C15H18BrN7O.C2H6/c1-25-16(24)12-3-2-9(5-18-12)13-4-14(17)23-15(22-13)11(8-21-23)10-6-19-20-7-10;1-17-15-13(16)12(4-10-7-18-2-3-24-10)22-14-11(8-21-23(14)15)9-5-19-20-6-9;1-2/h4,6-9,12,18H,2-3,5,17H2,1H3,(H,19,20);5-6,8,10,17-18H,2-4,7H2,1H3,(H,19,20);1-2H3.
What are the key properties of 6-bromo-N-methyl-5-(morpholin-2-ylmethyl)-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;ethane;methyl 5-[7-amino-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylate?
6-bromo-N-methyl-5-(morpholin-2-ylmethyl)-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;ethane;methyl 5-[7-amino-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylate has a molecular weight of 763.71 g/mol, XLogP of 3.19, 7 rotatable bonds, 6 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-methyl-5-(morpholin-2-ylmethyl)-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;ethane;methyl 5-[7-amino-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylate is sourced from PubChem (CID 143656290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).