5-[[4-[4-[[(3R,4R)-3-aminooxan-4-yl]amino]pyrazol-1-yl]pyrimidin-2-yl]amino]-N,1-dimethylindazole-3-carboxamide

C22H26N10O2 — CID 162668309

IUPAC5-[[4-[4-[[(3R,4R)-3-aminooxan-4-yl]amino]pyrazol-1-yl]pyrimidin-2-yl]amino]-N,1-dimethylindazole-3-carboxamide
SMILESCNC(=O)c1nn(C)c2ccc(Nc3nccc(-n4cc(N[C@@H]5CCOC[C@@H]5N)cn4)n3)cc12
InChIInChI=1S/C22H26N10O2/c1-24-21(33)20-15-9-13(3-4-18(15)31(2)30-20)28-22-25-7-5-19(29-22)32-11-14(10-26-32)27-17-6-8-34-12-16(17)23/h3-5,7,9-11,16-17,27H,6,8,12,23H2,1-2H3,(H,24,33)(H,25,28,29)/t16-,17+/m0/s1
InChIKeyIAVNMOWUUFWWOD-DLBZAZTESA-N
MW462.52 g/mol
LogP1.18
Rot. Bonds6

About 5-[[4-[4-[[(3R,4R)-3-aminooxan-4-yl]amino]pyrazol-1-yl]pyrimidin-2-yl]amino]-N,1-dimethylindazole-3-carboxamide

5-[[4-[4-[[(3R,4R)-3-aminooxan-4-yl]amino]pyrazol-1-yl]pyrimidin-2-yl]amino]-N,1-dimethylindazole-3-carboxamide (PubChem CID 162668309) has the molecular formula C22H26N10O2 and a molecular weight of 462.52 g/mol. Its IUPAC name is 5-[[4-[4-[[(3R,4R)-3-aminooxan-4-yl]amino]pyrazol-1-yl]pyrimidin-2-yl]amino]-N,1-dimethylindazole-3-carboxamide.

Molecular Properties

Compound Name5-[[4-[4-[[(3R,4R)-3-aminooxan-4-yl]amino]pyrazol-1-yl]pyrimidin-2-yl]amino]-N,1-dimethylindazole-3-carboxamide
PubChem CID162668309
Molecular FormulaC22H26N10O2
Molecular Weight462.52 g/mol
Exact Mass462.22
IUPAC Name5-[[4-[4-[[(3R,4R)-3-aminooxan-4-yl]amino]pyrazol-1-yl]pyrimidin-2-yl]amino]-N,1-dimethylindazole-3-carboxamide
SMILESCNC(=O)c1nn(C)c2ccc(Nc3nccc(-n4cc(N[C@@H]5CCOC[C@@H]5N)cn4)n3)cc12
InChIInChI=1S/C22H26N10O2/c1-24-21(33)20-15-9-13(3-4-18(15)31(2)30-20)28-22-25-7-5-19(29-22)32-11-14(10-26-32)27-17-6-8-34-12-16(17)23/h3-5,7,9-11,16-17,27H,6,8,12,23H2,1-2H3,(H,24,33)(H,25,28,29)/t16-,17+/m0/s1
InChIKeyIAVNMOWUUFWWOD-DLBZAZTESA-N
XLogP1.18
TPSA149.83 Ų
H-Bond Donors4
H-Bond Acceptors11
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.52
LogP ≤ 51.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1011

Analyze 5-[[4-[4-[[(3R,4R)-3-aminooxan-4-yl]amino]pyrazol-1-yl]pyrimidin-2-yl]amino]-N,1-dimethylindazole-3-carboxamide with MolForge

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Related Compounds

CID 71543230
CID 71543230
7-[[4-[4-[[(3~{R},4~{R})-3-azanyloxan-4-yl]amino]pyrazol-1-yl]pyrimidin-2-yl]amino]-~{N},3-dimethyl-imidazo[1,5-a]pyridine-1-carboxamide
CID 155925934
N,1-dimethyl-5-[[4-[3-methyl-4-[[(3R)-piperidin-3-yl]amino]pyrazol-1-yl]pyrimidin-2-yl]amino]indazole-3-carboxamide
CID 155925936
N,1-dimethyl-5-[[4-[3-methyl-4-[[(3R)-pyrrolidin-3-yl]amino]pyrazol-1-yl]pyrimidin-2-yl]amino]indazole-3-carboxamide
CID 155925937
(R)-N-(1-Benzyl-1H-pyrazol-4-yl)-9-methyl-6-oxo-6,7,8,9-tetrahydropyrido[3',2':4,5]pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 53230343
(3R)-3-(methoxymethyl)-7-[5-methyl-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2-[(6-methyl-2-pyridinyl)methyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one
CID 122604308
Syk-IN-4
CID 154573768
N-[[1-ethyl-6-methyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]methyl]-2-methylpyrazole-3-carboxamide
CID 44530259
Pyrrolo[2,3-d]pyrimidin-6-one deriv. 28c
CID 5329251
(13R)-N-[1-[(4-aminophenyl)methyl]pyrazol-4-yl]-13-methyl-10-oxo-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene-4-carboxamide
CID 130338820
6-[[(3R,4R)-3-aminooxan-4-yl]amino]-8-[(2-methylindazol-4-yl)amino]-2H-2,7-naphthyridin-1-one
CID 90656285
5-[[4-[4-[[(3S,4S)-4-fluoropyrrolidin-3-yl]amino]-3-methylpyrazol-1-yl]pyrimidin-2-yl]amino]-N,1-dimethylindazole-3-carboxamide
CID 162643363

Frequently Asked Questions

What is the IUPAC name of 5-[[4-[4-[[(3R,4R)-3-aminooxan-4-yl]amino]pyrazol-1-yl]pyrimidin-2-yl]amino]-N,1-dimethylindazole-3-carboxamide?
The IUPAC name of 5-[[4-[4-[[(3R,4R)-3-aminooxan-4-yl]amino]pyrazol-1-yl]pyrimidin-2-yl]amino]-N,1-dimethylindazole-3-carboxamide (CID 162668309) is 5-[[4-[4-[[(3R,4R)-3-aminooxan-4-yl]amino]pyrazol-1-yl]pyrimidin-2-yl]amino]-N,1-dimethylindazole-3-carboxamide.
What is the SMILES notation for 5-[[4-[4-[[(3R,4R)-3-aminooxan-4-yl]amino]pyrazol-1-yl]pyrimidin-2-yl]amino]-N,1-dimethylindazole-3-carboxamide?
The canonical SMILES for 5-[[4-[4-[[(3R,4R)-3-aminooxan-4-yl]amino]pyrazol-1-yl]pyrimidin-2-yl]amino]-N,1-dimethylindazole-3-carboxamide is CNC(=O)c1nn(C)c2ccc(Nc3nccc(-n4cc(N[C@@H]5CCOC[C@@H]5N)cn4)n3)cc12.
What is the InChIKey of 5-[[4-[4-[[(3R,4R)-3-aminooxan-4-yl]amino]pyrazol-1-yl]pyrimidin-2-yl]amino]-N,1-dimethylindazole-3-carboxamide?
The InChIKey is IAVNMOWUUFWWOD-DLBZAZTESA-N. The full InChI is InChI=1S/C22H26N10O2/c1-24-21(33)20-15-9-13(3-4-18(15)31(2)30-20)28-22-25-7-5-19(29-22)32-11-14(10-26-32)27-17-6-8-34-12-16(17)23/h3-5,7,9-11,16-17,27H,6,8,12,23H2,1-2H3,(H,24,33)(H,25,28,29)/t16-,17+/m0/s1.
What are the key properties of 5-[[4-[4-[[(3R,4R)-3-aminooxan-4-yl]amino]pyrazol-1-yl]pyrimidin-2-yl]amino]-N,1-dimethylindazole-3-carboxamide?
5-[[4-[4-[[(3R,4R)-3-aminooxan-4-yl]amino]pyrazol-1-yl]pyrimidin-2-yl]amino]-N,1-dimethylindazole-3-carboxamide has a molecular weight of 462.52 g/mol, XLogP of 1.18, 6 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-[4-[[(3R,4R)-3-aminooxan-4-yl]amino]pyrazol-1-yl]pyrimidin-2-yl]amino]-N,1-dimethylindazole-3-carboxamide is sourced from PubChem (CID 162668309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).