1-propan-2-yl-N-[2-(2-propan-2-yloxypyrimidin-4-yl)-1H-pyrrolo[3,2-c]pyridin-6-yl]pyrazole-4-carboxamide

C21H23N7O2 — CID 171432764

IUPAC1-propan-2-yl-N-[2-(2-propan-2-yloxypyrimidin-4-yl)-1H-pyrrolo[3,2-c]pyridin-6-yl]pyrazole-4-carboxamide
SMILESCC(C)Oc1nccc(-c2cc3cnc(NC(=O)c4cnn(C(C)C)c4)cc3[nH]2)n1
InChIInChI=1S/C21H23N7O2/c1-12(2)28-11-15(10-24-28)20(29)27-19-8-17-14(9-23-19)7-18(25-17)16-5-6-22-21(26-16)30-13(3)4/h5-13,25H,1-4H3,(H,23,27,29)
InChIKeyBLRZACYVSYOMJF-UHFFFAOYSA-N
MW405.46 g/mol
LogP3.84
Rot. Bonds6

About 1-propan-2-yl-N-[2-(2-propan-2-yloxypyrimidin-4-yl)-1H-pyrrolo[3,2-c]pyridin-6-yl]pyrazole-4-carboxamide

1-propan-2-yl-N-[2-(2-propan-2-yloxypyrimidin-4-yl)-1H-pyrrolo[3,2-c]pyridin-6-yl]pyrazole-4-carboxamide (PubChem CID 171432764) has the molecular formula C21H23N7O2 and a molecular weight of 405.46 g/mol. Its IUPAC name is 1-propan-2-yl-N-[2-(2-propan-2-yloxypyrimidin-4-yl)-1H-pyrrolo[3,2-c]pyridin-6-yl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-propan-2-yl-N-[2-(2-propan-2-yloxypyrimidin-4-yl)-1H-pyrrolo[3,2-c]pyridin-6-yl]pyrazole-4-carboxamide
PubChem CID171432764
Molecular FormulaC21H23N7O2
Molecular Weight405.46 g/mol
Exact Mass405.19
IUPAC Name1-propan-2-yl-N-[2-(2-propan-2-yloxypyrimidin-4-yl)-1H-pyrrolo[3,2-c]pyridin-6-yl]pyrazole-4-carboxamide
SMILESCC(C)Oc1nccc(-c2cc3cnc(NC(=O)c4cnn(C(C)C)c4)cc3[nH]2)n1
InChIInChI=1S/C21H23N7O2/c1-12(2)28-11-15(10-24-28)20(29)27-19-8-17-14(9-23-19)7-18(25-17)16-5-6-22-21(26-16)30-13(3)4/h5-13,25H,1-4H3,(H,23,27,29)
InChIKeyBLRZACYVSYOMJF-UHFFFAOYSA-N
XLogP3.84
TPSA110.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.46
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-methyl-N-[2-[2-(1,2,2-trifluoroethoxy)pyrimidin-4-yl]-1H-pyrrolo[3,2-c]pyridin-6-yl]pyrazole-4-carboxamide
CID 175479516
1,3-dimethyl-N-[2-[2-(1,1,3-trifluoropropan-2-yloxy)pyrimidin-4-yl]-1H-pyrrolo[3,2-c]pyridin-6-yl]pyrazole-4-carboxamide
CID 175479528
1-methyl-N-(2-pyridin-3-yl-1H-pyrrolo[3,2-c]pyridin-6-yl)pyrazole-4-carboxamide
CID 169097850
iron;N-[2-(2-methanidylpyrimidin-4-yl)-1H-pyrrolo[3,2-c]pyridin-6-yl]cyclopropanecarboxamide
CID 171432742
2-piperidin-4-yloxy-N-[6-(1-propan-2-ylpyrazol-4-yl)isoquinolin-3-yl]pyridine-4-carboxamide
CID 134444263
N,1-di(propan-2-yl)pyrazole-4-carboxamide
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N-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]-2-propan-2-yloxypyridine-4-carboxamide
CID 138591594
N-(1-propan-2-ylpyrazol-4-yl)-1H-pyrazole-4-carboxamide
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N-[(6-methoxy-1H-benzimidazol-2-yl)methyl]-1-propan-2-ylpyrazole-4-carboxamide
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3-hydroxy-N-[2-[2-(trifluoromethyl)pyrimidin-4-yl]-1H-pyrrolo[3,2-c]pyridin-6-yl]cyclobutane-1-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-N-[2-(2-propan-2-yloxypyrimidin-4-yl)-1H-pyrrolo[3,2-c]pyridin-6-yl]pyrazole-4-carboxamide?
The IUPAC name of 1-propan-2-yl-N-[2-(2-propan-2-yloxypyrimidin-4-yl)-1H-pyrrolo[3,2-c]pyridin-6-yl]pyrazole-4-carboxamide (CID 171432764) is 1-propan-2-yl-N-[2-(2-propan-2-yloxypyrimidin-4-yl)-1H-pyrrolo[3,2-c]pyridin-6-yl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-propan-2-yl-N-[2-(2-propan-2-yloxypyrimidin-4-yl)-1H-pyrrolo[3,2-c]pyridin-6-yl]pyrazole-4-carboxamide?
The canonical SMILES for 1-propan-2-yl-N-[2-(2-propan-2-yloxypyrimidin-4-yl)-1H-pyrrolo[3,2-c]pyridin-6-yl]pyrazole-4-carboxamide is CC(C)Oc1nccc(-c2cc3cnc(NC(=O)c4cnn(C(C)C)c4)cc3[nH]2)n1.
What is the InChIKey of 1-propan-2-yl-N-[2-(2-propan-2-yloxypyrimidin-4-yl)-1H-pyrrolo[3,2-c]pyridin-6-yl]pyrazole-4-carboxamide?
The InChIKey is BLRZACYVSYOMJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N7O2/c1-12(2)28-11-15(10-24-28)20(29)27-19-8-17-14(9-23-19)7-18(25-17)16-5-6-22-21(26-16)30-13(3)4/h5-13,25H,1-4H3,(H,23,27,29).
What are the key properties of 1-propan-2-yl-N-[2-(2-propan-2-yloxypyrimidin-4-yl)-1H-pyrrolo[3,2-c]pyridin-6-yl]pyrazole-4-carboxamide?
1-propan-2-yl-N-[2-(2-propan-2-yloxypyrimidin-4-yl)-1H-pyrrolo[3,2-c]pyridin-6-yl]pyrazole-4-carboxamide has a molecular weight of 405.46 g/mol, XLogP of 3.84, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-N-[2-(2-propan-2-yloxypyrimidin-4-yl)-1H-pyrrolo[3,2-c]pyridin-6-yl]pyrazole-4-carboxamide is sourced from PubChem (CID 171432764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).