5-[[4-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]pyrimidin-2-yl]amino]-N,1-dimethylindazole-3-carboxamide

C21H25N9O — CID 162656336

IUPAC5-[[4-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]pyrimidin-2-yl]amino]-N,1-dimethylindazole-3-carboxamide
SMILESCNC(=O)c1nn(C)c2ccc(Nc3nccc(-c4cc(CN(C)C)n(C)n4)n3)cc12
InChIInChI=1S/C21H25N9O/c1-22-20(31)19-15-10-13(6-7-18(15)30(5)27-19)24-21-23-9-8-16(25-21)17-11-14(12-28(2)3)29(4)26-17/h6-11H,12H2,1-5H3,(H,22,31)(H,23,24,25)
InChIKeyPQZMFSCYCVLYQR-UHFFFAOYSA-N
MW419.49 g/mol
LogP1.93
Rot. Bonds6

About 5-[[4-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]pyrimidin-2-yl]amino]-N,1-dimethylindazole-3-carboxamide

5-[[4-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]pyrimidin-2-yl]amino]-N,1-dimethylindazole-3-carboxamide (PubChem CID 162656336) has the molecular formula C21H25N9O and a molecular weight of 419.49 g/mol. Its IUPAC name is 5-[[4-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]pyrimidin-2-yl]amino]-N,1-dimethylindazole-3-carboxamide.

Molecular Properties

Compound Name5-[[4-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]pyrimidin-2-yl]amino]-N,1-dimethylindazole-3-carboxamide
PubChem CID162656336
Molecular FormulaC21H25N9O
Molecular Weight419.49 g/mol
Exact Mass419.22
IUPAC Name5-[[4-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]pyrimidin-2-yl]amino]-N,1-dimethylindazole-3-carboxamide
SMILESCNC(=O)c1nn(C)c2ccc(Nc3nccc(-c4cc(CN(C)C)n(C)n4)n3)cc12
InChIInChI=1S/C21H25N9O/c1-22-20(31)19-15-10-13(6-7-18(15)30(5)27-19)24-21-23-9-8-16(25-21)17-11-14(12-28(2)3)29(4)26-17/h6-11H,12H2,1-5H3,(H,22,31)(H,23,24,25)
InChIKeyPQZMFSCYCVLYQR-UHFFFAOYSA-N
XLogP1.93
TPSA105.79 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.49
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

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CID 16718576
Cep-11981
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3-[[(E)-4-(dimethylamino)but-2-enoyl]amino]-N-[4-[[4-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyrimidin-2-yl]amino]phenyl]benzamide
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Rock2-IN-6
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CID 23646190
1-(3-carbamimidoylphenyl)-N-(2-fluoro-4-{3H-imidazo[4,5-c]pyridin-3-yl}phenyl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
CID 23646191
N-[4-(1H-1,3-benzodiazol-1-yl)phenyl]-1-(3-carbamimidoylphenyl)-3-(1H-imidazol-1-ylmethyl)-1H-pyrazole-5-carboxamide
CID 23646202
N-[4-(1H-1,3-benzodiazol-1-yl)phenyl]-1-(3-carbamimidoylphenyl)-3-(1H-1,2,3-triazol-1-ylmethyl)-1H-pyrazole-5-carboxamide
CID 23646204
N-[4-(1H-1,3-benzodiazol-1-yl)phenyl]-1-(3-carbamimidoylphenyl)-3-(pyridin-3-yl)-1H-pyrazole-5-carboxamide
CID 23646206
Pyrazolo[4,3-h]quinazoline-3-carboxamide, 22
CID 44235885
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CID 44235886

Frequently Asked Questions

What is the IUPAC name of 5-[[4-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]pyrimidin-2-yl]amino]-N,1-dimethylindazole-3-carboxamide?
The IUPAC name of 5-[[4-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]pyrimidin-2-yl]amino]-N,1-dimethylindazole-3-carboxamide (CID 162656336) is 5-[[4-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]pyrimidin-2-yl]amino]-N,1-dimethylindazole-3-carboxamide.
What is the SMILES notation for 5-[[4-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]pyrimidin-2-yl]amino]-N,1-dimethylindazole-3-carboxamide?
The canonical SMILES for 5-[[4-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]pyrimidin-2-yl]amino]-N,1-dimethylindazole-3-carboxamide is CNC(=O)c1nn(C)c2ccc(Nc3nccc(-c4cc(CN(C)C)n(C)n4)n3)cc12.
What is the InChIKey of 5-[[4-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]pyrimidin-2-yl]amino]-N,1-dimethylindazole-3-carboxamide?
The InChIKey is PQZMFSCYCVLYQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N9O/c1-22-20(31)19-15-10-13(6-7-18(15)30(5)27-19)24-21-23-9-8-16(25-21)17-11-14(12-28(2)3)29(4)26-17/h6-11H,12H2,1-5H3,(H,22,31)(H,23,24,25).
What are the key properties of 5-[[4-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]pyrimidin-2-yl]amino]-N,1-dimethylindazole-3-carboxamide?
5-[[4-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]pyrimidin-2-yl]amino]-N,1-dimethylindazole-3-carboxamide has a molecular weight of 419.49 g/mol, XLogP of 1.93, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]pyrimidin-2-yl]amino]-N,1-dimethylindazole-3-carboxamide is sourced from PubChem (CID 162656336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).