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

C22H18N6O — CID 175421408

IUPAC3,4-dimethyl-N-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazolo[1,5-b]pyridazine-5-carboxamide
SMILESCc1cnn2ncc(C(=O)Nc3cnc4[nH]c(-c5ccccc5)cc4c3)c(C)c12
InChIInChI=1S/C22H18N6O/c1-13-10-24-28-20(13)14(2)18(12-25-28)22(29)26-17-8-16-9-19(27-21(16)23-11-17)15-6-4-3-5-7-15/h3-12H,1-2H3,(H,23,27)(H,26,29)
InChIKeyJBEBMSVXLFBXAT-UHFFFAOYSA-N
MW382.43 g/mol
LogP4.14
Rot. Bonds3

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

3,4-dimethyl-N-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazolo[1,5-b]pyridazine-5-carboxamide (PubChem CID 175421408) has the molecular formula C22H18N6O and a molecular weight of 382.43 g/mol. Its IUPAC name is 3,4-dimethyl-N-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazolo[1,5-b]pyridazine-5-carboxamide.

Molecular Properties

Compound Name3,4-dimethyl-N-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazolo[1,5-b]pyridazine-5-carboxamide
PubChem CID175421408
Molecular FormulaC22H18N6O
Molecular Weight382.43 g/mol
Exact Mass382.15
IUPAC Name3,4-dimethyl-N-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazolo[1,5-b]pyridazine-5-carboxamide
SMILESCc1cnn2ncc(C(=O)Nc3cnc4[nH]c(-c5ccccc5)cc4c3)c(C)c12
InChIInChI=1S/C22H18N6O/c1-13-10-24-28-20(13)14(2)18(12-25-28)22(29)26-17-8-16-9-19(27-21(16)23-11-17)15-6-4-3-5-7-15/h3-12H,1-2H3,(H,23,27)(H,26,29)
InChIKeyJBEBMSVXLFBXAT-UHFFFAOYSA-N
XLogP4.14
TPSA87.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.43
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(3-acetamidophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-methoxybenzamide
CID 11646996
4-[5-[(4,5-dimethyl-1H-pyrazole-3-carbonyl)amino]-1H-pyrrolo[2,3-b]pyridin-2-yl]-2-methylbenzoic acid
CID 90241845
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
[4-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]urea
CID 129198592
4,5-dimethyl-N-[2-(3-morpholin-4-ylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1H-pyrazole-3-carboxamide
CID 90302620
propan-2-yl N-[2-[3-(2-methoxyethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]carbamate
CID 11581473
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
N-(3-methylphenyl)-1,5-diphenylpyrazole-4-carboxamide
CID 985834
4,5-dimethyl-N-[2-(6-methyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyrazolidine-3-carboxamide
CID 146012284
5-methyl-N-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)-1-phenylpyrazole-4-carboxamide
CID 108730123
N-(6-chloro-5-methyl-3-pyridinyl)pyrazolo[1,5-a]pyridine-3-carboxamide
CID 103745233

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-N-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazolo[1,5-b]pyridazine-5-carboxamide?
The IUPAC name of 3,4-dimethyl-N-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazolo[1,5-b]pyridazine-5-carboxamide (CID 175421408) is 3,4-dimethyl-N-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazolo[1,5-b]pyridazine-5-carboxamide.
What is the SMILES notation for 3,4-dimethyl-N-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazolo[1,5-b]pyridazine-5-carboxamide?
The canonical SMILES for 3,4-dimethyl-N-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazolo[1,5-b]pyridazine-5-carboxamide is Cc1cnn2ncc(C(=O)Nc3cnc4[nH]c(-c5ccccc5)cc4c3)c(C)c12.
What is the InChIKey of 3,4-dimethyl-N-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazolo[1,5-b]pyridazine-5-carboxamide?
The InChIKey is JBEBMSVXLFBXAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N6O/c1-13-10-24-28-20(13)14(2)18(12-25-28)22(29)26-17-8-16-9-19(27-21(16)23-11-17)15-6-4-3-5-7-15/h3-12H,1-2H3,(H,23,27)(H,26,29).
What are the key properties of 3,4-dimethyl-N-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazolo[1,5-b]pyridazine-5-carboxamide?
3,4-dimethyl-N-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazolo[1,5-b]pyridazine-5-carboxamide has a molecular weight of 382.43 g/mol, XLogP of 4.14, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-N-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazolo[1,5-b]pyridazine-5-carboxamide is sourced from PubChem (CID 175421408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).