4,5-dimethyl-N-[2-(1-piperidin-4-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1H-pyrazole-3-carboxamide

C21H24N8O — CID 90241215

IUPAC4,5-dimethyl-N-[2-(1-piperidin-4-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1H-pyrazole-3-carboxamide
SMILESCc1[nH]nc(C(=O)Nc2cnc3[nH]c(-c4cnn(C5CCNCC5)c4)cc3c2)c1C
InChIInChI=1S/C21H24N8O/c1-12-13(2)27-28-19(12)21(30)25-16-7-14-8-18(26-20(14)23-10-16)15-9-24-29(11-15)17-3-5-22-6-4-17/h7-11,17,22H,3-6H2,1-2H3,(H,23,26)(H,25,30)(H,27,28)
InChIKeyVSUDYXZPATVBDD-UHFFFAOYSA-N
MW404.48 g/mol
LogP2.94
Rot. Bonds4

About 4,5-dimethyl-N-[2-(1-piperidin-4-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1H-pyrazole-3-carboxamide

4,5-dimethyl-N-[2-(1-piperidin-4-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1H-pyrazole-3-carboxamide (PubChem CID 90241215) has the molecular formula C21H24N8O and a molecular weight of 404.48 g/mol. Its IUPAC name is 4,5-dimethyl-N-[2-(1-piperidin-4-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4,5-dimethyl-N-[2-(1-piperidin-4-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1H-pyrazole-3-carboxamide
PubChem CID90241215
Molecular FormulaC21H24N8O
Molecular Weight404.48 g/mol
Exact Mass404.21
IUPAC Name4,5-dimethyl-N-[2-(1-piperidin-4-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1H-pyrazole-3-carboxamide
SMILESCc1[nH]nc(C(=O)Nc2cnc3[nH]c(-c4cnn(C5CCNCC5)c4)cc3c2)c1C
InChIInChI=1S/C21H24N8O/c1-12-13(2)27-28-19(12)21(30)25-16-7-14-8-18(26-20(14)23-10-16)15-9-24-29(11-15)17-3-5-22-6-4-17/h7-11,17,22H,3-6H2,1-2H3,(H,23,26)(H,25,30)(H,27,28)
InChIKeyVSUDYXZPATVBDD-UHFFFAOYSA-N
XLogP2.94
TPSA116.31 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.48
LogP ≤ 52.94
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-N-[2-(1-piperidin-4-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1H-pyrazole-3-carboxamide?
The IUPAC name of 4,5-dimethyl-N-[2-(1-piperidin-4-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1H-pyrazole-3-carboxamide (CID 90241215) is 4,5-dimethyl-N-[2-(1-piperidin-4-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4,5-dimethyl-N-[2-(1-piperidin-4-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4,5-dimethyl-N-[2-(1-piperidin-4-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1H-pyrazole-3-carboxamide is Cc1[nH]nc(C(=O)Nc2cnc3[nH]c(-c4cnn(C5CCNCC5)c4)cc3c2)c1C.
What is the InChIKey of 4,5-dimethyl-N-[2-(1-piperidin-4-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1H-pyrazole-3-carboxamide?
The InChIKey is VSUDYXZPATVBDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N8O/c1-12-13(2)27-28-19(12)21(30)25-16-7-14-8-18(26-20(14)23-10-16)15-9-24-29(11-15)17-3-5-22-6-4-17/h7-11,17,22H,3-6H2,1-2H3,(H,23,26)(H,25,30)(H,27,28).
What are the key properties of 4,5-dimethyl-N-[2-(1-piperidin-4-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1H-pyrazole-3-carboxamide?
4,5-dimethyl-N-[2-(1-piperidin-4-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1H-pyrazole-3-carboxamide has a molecular weight of 404.48 g/mol, XLogP of 2.94, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-N-[2-(1-piperidin-4-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 90241215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).