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

C16H15N7O — CID 76683720

IUPAC4,5-dimethyl-N-(2-pyrazol-1-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)-1H-pyrazole-3-carboxamide
SMILESCc1[nH]nc(C(=O)Nc2cnc3[nH]c(-n4cccn4)cc3c2)c1C
InChIInChI=1S/C16H15N7O/c1-9-10(2)21-22-14(9)16(24)19-12-6-11-7-13(20-15(11)17-8-12)23-5-3-4-18-23/h3-8H,1-2H3,(H,17,20)(H,19,24)(H,21,22)
InChIKeyLOEBIWXDJWQODG-UHFFFAOYSA-N
MW321.34 g/mol
LogP2.34
Rot. Bonds3

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

4,5-dimethyl-N-(2-pyrazol-1-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)-1H-pyrazole-3-carboxamide (PubChem CID 76683720) has the molecular formula C16H15N7O and a molecular weight of 321.34 g/mol. Its IUPAC name is 4,5-dimethyl-N-(2-pyrazol-1-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4,5-dimethyl-N-(2-pyrazol-1-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)-1H-pyrazole-3-carboxamide
PubChem CID76683720
Molecular FormulaC16H15N7O
Molecular Weight321.34 g/mol
Exact Mass321.13
IUPAC Name4,5-dimethyl-N-(2-pyrazol-1-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)-1H-pyrazole-3-carboxamide
SMILESCc1[nH]nc(C(=O)Nc2cnc3[nH]c(-n4cccn4)cc3c2)c1C
InChIInChI=1S/C16H15N7O/c1-9-10(2)21-22-14(9)16(24)19-12-6-11-7-13(20-15(11)17-8-12)23-5-3-4-18-23/h3-8H,1-2H3,(H,17,20)(H,19,24)(H,21,22)
InChIKeyLOEBIWXDJWQODG-UHFFFAOYSA-N
XLogP2.34
TPSA104.28 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.34
LogP ≤ 52.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-hydroxy-1H-pyrrolo[2,3-b]pyridin-5-yl)-4,5-dimethyl-1H-pyrazole-3-carboxamide
CID 166816512
4,5-dimethyl-N-(2-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)-1H-pyrazole-3-carboxamide
CID 90240834
4,5-dimethyl-N-[2-(2-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1H-pyrazole-3-carboxamide
CID 76683517
N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-4,5-dimethyl-1H-pyrazole-3-carboxamide
CID 76684706
4,5-dimethyl-N-[2-(5-methyl-1-piperidin-4-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1H-pyrazole-3-carboxamide
CID 76683930
4-[5-[(4,5-dimethyl-1H-pyrazole-3-carbonyl)amino]-1H-pyrrolo[2,3-b]pyridin-2-yl]-2-methylbenzoic acid
CID 90241845
N-[2-(4-aminocyclohexen-1-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-4,5-dimethyl-1H-pyrazole-3-carboxamide
CID 76684942
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
4,5-dimethyl-N-[2-(3-morpholin-4-ylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1H-pyrazole-3-carboxamide
CID 90302620
4,5-dimethyl-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-1H-pyrazole-3-carboxamide
CID 90241214
4,5-dimethyl-N-[2-[1-(morpholine-4-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-1H-pyrazole-3-carboxamide
CID 86728016
4,5-dimethyl-N-[2-[4-[(3-methyloxetan-3-yl)methoxy]phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-1H-pyrazole-3-carboxamide
CID 90302757

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-N-(2-pyrazol-1-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)-1H-pyrazole-3-carboxamide?
The IUPAC name of 4,5-dimethyl-N-(2-pyrazol-1-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)-1H-pyrazole-3-carboxamide (CID 76683720) is 4,5-dimethyl-N-(2-pyrazol-1-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4,5-dimethyl-N-(2-pyrazol-1-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4,5-dimethyl-N-(2-pyrazol-1-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)-1H-pyrazole-3-carboxamide is Cc1[nH]nc(C(=O)Nc2cnc3[nH]c(-n4cccn4)cc3c2)c1C.
What is the InChIKey of 4,5-dimethyl-N-(2-pyrazol-1-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)-1H-pyrazole-3-carboxamide?
The InChIKey is LOEBIWXDJWQODG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N7O/c1-9-10(2)21-22-14(9)16(24)19-12-6-11-7-13(20-15(11)17-8-12)23-5-3-4-18-23/h3-8H,1-2H3,(H,17,20)(H,19,24)(H,21,22).
What are the key properties of 4,5-dimethyl-N-(2-pyrazol-1-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)-1H-pyrazole-3-carboxamide?
4,5-dimethyl-N-(2-pyrazol-1-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)-1H-pyrazole-3-carboxamide has a molecular weight of 321.34 g/mol, XLogP of 2.34, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-N-(2-pyrazol-1-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 76683720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).