N-[4-(3-cyclopropyl-6-oxopyridazin-1-yl)cyclohexyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide

C21H23N5O2 — CID 126935209

IUPACN-[4-(3-cyclopropyl-6-oxopyridazin-1-yl)cyclohexyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
SMILESO=C(NC1CCC(n2nc(C3CC3)ccc2=O)CC1)c1c[nH]c2ncccc12
InChIInChI=1S/C21H23N5O2/c27-19-10-9-18(13-3-4-13)25-26(19)15-7-5-14(6-8-15)24-21(28)17-12-23-20-16(17)2-1-11-22-20/h1-2,9-15H,3-8H2,(H,22,23)(H,24,28)
InChIKeyWBQBEEGWMBUUOK-UHFFFAOYSA-N
MW377.45 g/mol
LogP2.91
Rot. Bonds4

About N-[4-(3-cyclopropyl-6-oxopyridazin-1-yl)cyclohexyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide

N-[4-(3-cyclopropyl-6-oxopyridazin-1-yl)cyclohexyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide (PubChem CID 126935209) has the molecular formula C21H23N5O2 and a molecular weight of 377.45 g/mol. Its IUPAC name is N-[4-(3-cyclopropyl-6-oxopyridazin-1-yl)cyclohexyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(3-cyclopropyl-6-oxopyridazin-1-yl)cyclohexyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
PubChem CID126935209
Molecular FormulaC21H23N5O2
Molecular Weight377.45 g/mol
Exact Mass377.19
IUPAC NameN-[4-(3-cyclopropyl-6-oxopyridazin-1-yl)cyclohexyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
SMILESO=C(NC1CCC(n2nc(C3CC3)ccc2=O)CC1)c1c[nH]c2ncccc12
InChIInChI=1S/C21H23N5O2/c27-19-10-9-18(13-3-4-13)25-26(19)15-7-5-14(6-8-15)24-21(28)17-12-23-20-16(17)2-1-11-22-20/h1-2,9-15H,3-8H2,(H,22,23)(H,24,28)
InChIKeyWBQBEEGWMBUUOK-UHFFFAOYSA-N
XLogP2.91
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[4-(3-cyclopropyl-6-oxopyridazin-1-yl)cyclohexyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide with MolForge

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Related Compounds

N-[4-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)cyclohexyl]-1H-indole-3-carboxamide
CID 126936213
N-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
CID 11231449
N-[4-(3-cyclopropyl-6-oxopyridazin-1-yl)cyclohexyl]-2-(1H-indol-3-yl)acetamide
CID 126934959
N-[4-(3-cyclopropyl-6-oxopyridazin-1-yl)cyclohexyl]-3H-benzimidazole-5-carboxamide
CID 126934957
N-[4-(3-cyclopropyl-6-oxopyridazin-1-yl)cyclohexyl]quinoxaline-6-carboxamide
CID 126934963
N-[4-(3-cyclopropyl-6-oxopyridazin-1-yl)cyclohexyl]-2,5-dimethylpyrazole-3-carboxamide
CID 126934979
N-[4-(3-cyclopropyl-6-oxopyridazin-1-yl)cyclohexyl]-6-(dimethylamino)pyridazine-3-carboxamide
CID 126934997
N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
CID 67673627
N-[4-(3-methyl-6-oxopyridazin-1-yl)oxolan-3-yl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
CID 126938910
6-cyclopropyl-2-[4-(1H-indol-3-ylmethylamino)cyclohexyl]pyridazin-3-one
CID 126935103
N-[4-(3-methyl-6-oxopyridazin-1-yl)cyclohexyl]pyrimidine-2-carboxamide
CID 126934619
N-[(2R)-1-(cyclopropylamino)-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
CID 95286983

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-cyclopropyl-6-oxopyridazin-1-yl)cyclohexyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide?
The IUPAC name of N-[4-(3-cyclopropyl-6-oxopyridazin-1-yl)cyclohexyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide (CID 126935209) is N-[4-(3-cyclopropyl-6-oxopyridazin-1-yl)cyclohexyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide.
What is the SMILES notation for N-[4-(3-cyclopropyl-6-oxopyridazin-1-yl)cyclohexyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide?
The canonical SMILES for N-[4-(3-cyclopropyl-6-oxopyridazin-1-yl)cyclohexyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide is O=C(NC1CCC(n2nc(C3CC3)ccc2=O)CC1)c1c[nH]c2ncccc12.
What is the InChIKey of N-[4-(3-cyclopropyl-6-oxopyridazin-1-yl)cyclohexyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide?
The InChIKey is WBQBEEGWMBUUOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O2/c27-19-10-9-18(13-3-4-13)25-26(19)15-7-5-14(6-8-15)24-21(28)17-12-23-20-16(17)2-1-11-22-20/h1-2,9-15H,3-8H2,(H,22,23)(H,24,28).
What are the key properties of N-[4-(3-cyclopropyl-6-oxopyridazin-1-yl)cyclohexyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide?
N-[4-(3-cyclopropyl-6-oxopyridazin-1-yl)cyclohexyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide has a molecular weight of 377.45 g/mol, XLogP of 2.91, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-cyclopropyl-6-oxopyridazin-1-yl)cyclohexyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide is sourced from PubChem (CID 126935209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).