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

C18H16N6O — CID 90240834

IUPAC4,5-dimethyl-N-(2-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)-1H-pyrazole-3-carboxamide
SMILESCc1[nH]nc(C(=O)Nc2cnc3[nH]c(-c4ccncc4)cc3c2)c1C
InChIInChI=1S/C18H16N6O/c1-10-11(2)23-24-16(10)18(25)21-14-7-13-8-15(22-17(13)20-9-14)12-3-5-19-6-4-12/h3-9H,1-2H3,(H,20,22)(H,21,25)(H,23,24)
InChIKeyLZVFCXKCHFPTBB-UHFFFAOYSA-N
MW332.37 g/mol
LogP3.22
Rot. Bonds3

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

4,5-dimethyl-N-(2-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)-1H-pyrazole-3-carboxamide (PubChem CID 90240834) has the molecular formula C18H16N6O and a molecular weight of 332.37 g/mol. Its IUPAC name is 4,5-dimethyl-N-(2-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4,5-dimethyl-N-(2-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)-1H-pyrazole-3-carboxamide
PubChem CID90240834
Molecular FormulaC18H16N6O
Molecular Weight332.37 g/mol
Exact Mass332.14
IUPAC Name4,5-dimethyl-N-(2-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)-1H-pyrazole-3-carboxamide
SMILESCc1[nH]nc(C(=O)Nc2cnc3[nH]c(-c4ccncc4)cc3c2)c1C
InChIInChI=1S/C18H16N6O/c1-10-11(2)23-24-16(10)18(25)21-14-7-13-8-15(22-17(13)20-9-14)12-3-5-19-6-4-12/h3-9H,1-2H3,(H,20,22)(H,21,25)(H,23,24)
InChIKeyLZVFCXKCHFPTBB-UHFFFAOYSA-N
XLogP3.22
TPSA99.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.37
LogP ≤ 53.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-N-(2-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)-1H-pyrazole-3-carboxamide?
The IUPAC name of 4,5-dimethyl-N-(2-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)-1H-pyrazole-3-carboxamide (CID 90240834) is 4,5-dimethyl-N-(2-pyridin-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-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4,5-dimethyl-N-(2-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)-1H-pyrazole-3-carboxamide is Cc1[nH]nc(C(=O)Nc2cnc3[nH]c(-c4ccncc4)cc3c2)c1C.
What is the InChIKey of 4,5-dimethyl-N-(2-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)-1H-pyrazole-3-carboxamide?
The InChIKey is LZVFCXKCHFPTBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N6O/c1-10-11(2)23-24-16(10)18(25)21-14-7-13-8-15(22-17(13)20-9-14)12-3-5-19-6-4-12/h3-9H,1-2H3,(H,20,22)(H,21,25)(H,23,24).
What are the key properties of 4,5-dimethyl-N-(2-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)-1H-pyrazole-3-carboxamide?
4,5-dimethyl-N-(2-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)-1H-pyrazole-3-carboxamide has a molecular weight of 332.37 g/mol, XLogP of 3.22, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-N-(2-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 90240834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).