5-[5-[(4,4-difluorocyclohexen-1-yl)methyl]-3-pyridinyl]-N-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]-1H-indazole-3-carboxamide

C31H32F2N6O2 — CID 123922801

IUPAC5-[5-[(4,4-difluorocyclohexen-1-yl)methyl]-3-pyridinyl]-N-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]-1H-indazole-3-carboxamide
SMILESCC1CN(c2ccc(NC(=O)c3n[nH]c4ccc(-c5cncc(CC6=CCC(F)(F)CC6)c5)cc34)cn2)CC(C)O1
InChIInChI=1S/C31H32F2N6O2/c1-19-17-39(18-20(2)41-19)28-6-4-25(16-35-28)36-30(40)29-26-13-23(3-5-27(26)37-38-29)24-12-22(14-34-15-24)11-21-7-9-31(32,33)10-8-21/h3-7,12-16,19-20H,8-11,17-18H2,1-2H3,(H,36,40)(H,37,38)
InChIKeyZYSLWKFNDMBUFO-UHFFFAOYSA-N
MW558.63 g/mol
LogP6.17
Rot. Bonds6

About 5-[5-[(4,4-difluorocyclohexen-1-yl)methyl]-3-pyridinyl]-N-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]-1H-indazole-3-carboxamide

5-[5-[(4,4-difluorocyclohexen-1-yl)methyl]-3-pyridinyl]-N-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]-1H-indazole-3-carboxamide (PubChem CID 123922801) has the molecular formula C31H32F2N6O2 and a molecular weight of 558.63 g/mol. Its IUPAC name is 5-[5-[(4,4-difluorocyclohexen-1-yl)methyl]-3-pyridinyl]-N-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]-1H-indazole-3-carboxamide.

Molecular Properties

Compound Name5-[5-[(4,4-difluorocyclohexen-1-yl)methyl]-3-pyridinyl]-N-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]-1H-indazole-3-carboxamide
PubChem CID123922801
Molecular FormulaC31H32F2N6O2
Molecular Weight558.63 g/mol
Exact Mass558.26
IUPAC Name5-[5-[(4,4-difluorocyclohexen-1-yl)methyl]-3-pyridinyl]-N-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]-1H-indazole-3-carboxamide
SMILESCC1CN(c2ccc(NC(=O)c3n[nH]c4ccc(-c5cncc(CC6=CCC(F)(F)CC6)c5)cc34)cn2)CC(C)O1
InChIInChI=1S/C31H32F2N6O2/c1-19-17-39(18-20(2)41-19)28-6-4-25(16-35-28)36-30(40)29-26-13-23(3-5-27(26)37-38-29)24-12-22(14-34-15-24)11-21-7-9-31(32,33)10-8-21/h3-7,12-16,19-20H,8-11,17-18H2,1-2H3,(H,36,40)(H,37,38)
InChIKeyZYSLWKFNDMBUFO-UHFFFAOYSA-N
XLogP6.17
TPSA96.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500558.63
LogP ≤ 56.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 5-[5-[(4,4-difluorocyclohexen-1-yl)methyl]-3-pyridinyl]-N-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]-1H-indazole-3-carboxamide with MolForge

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Related Compounds

N-(6-methyl-3-pyridinyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
CID 89458694
N-(5-methyl-3-pyridinyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
CID 118381061
4-methyl-N-[4-(morpholin-4-ylmethyl)-3-(trifluoromethyl)phenyl]-3-[4-(1H-pyrazolo[3,4-b]pyridin-5-yl)triazol-1-yl]benzamide
CID 71460845
N-[4-(morpholin-4-ylmethyl)phenyl]-4-(quinazolin-4-ylamino)-1H-pyrazole-5-carboxamide
CID 137641846
1-(4-Fluorophenyl)-8-[(2-morpholin-4-ylisonicotinoyl)-amino]-4,5-dihydro-1H-benzo[g]indazole-3-carboxamide
CID 10459074
N-(3-(2-(2-(2-morpholinoethylamino)pyridin-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl)phenyl)-3-(trifluoromethyl)benzamide
CID 46883717
N-{[1-(2-methoxyethyl)piperidin-4-yl]methyl}-5-(pyridin-3-yl)-1H-indazole-3-carboxamide
CID 71714628
N-{[1-(2-methoxyethyl)piperidin-4-yl]methyl}-5-(6-methylpyridin-3-yl)-1H-indazole-3-carboxamide
CID 89777948
(4,4-difluoropiperidin-1-yl)-[1-methyl-6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)indazol-3-yl]methanone
CID 134198344
4-[[4-(1H-indazol-6-ylamino)-5-methylpyrimidin-2-yl]amino]-N-(2-morpholin-4-ylethyl)benzamide
CID 156704685
N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5-(trifluoromethyl)-4-pyridinyl]-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide
CID 165129756
2-[6-(dimethylamino)-3-pyridinyl]-7-morpholin-4-yl-5H-pyrido[3,2-b]indole-4-carboxamide
CID 66604447

Frequently Asked Questions

What is the IUPAC name of 5-[5-[(4,4-difluorocyclohexen-1-yl)methyl]-3-pyridinyl]-N-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]-1H-indazole-3-carboxamide?
The IUPAC name of 5-[5-[(4,4-difluorocyclohexen-1-yl)methyl]-3-pyridinyl]-N-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]-1H-indazole-3-carboxamide (CID 123922801) is 5-[5-[(4,4-difluorocyclohexen-1-yl)methyl]-3-pyridinyl]-N-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]-1H-indazole-3-carboxamide.
What is the SMILES notation for 5-[5-[(4,4-difluorocyclohexen-1-yl)methyl]-3-pyridinyl]-N-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]-1H-indazole-3-carboxamide?
The canonical SMILES for 5-[5-[(4,4-difluorocyclohexen-1-yl)methyl]-3-pyridinyl]-N-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]-1H-indazole-3-carboxamide is CC1CN(c2ccc(NC(=O)c3n[nH]c4ccc(-c5cncc(CC6=CCC(F)(F)CC6)c5)cc34)cn2)CC(C)O1.
What is the InChIKey of 5-[5-[(4,4-difluorocyclohexen-1-yl)methyl]-3-pyridinyl]-N-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]-1H-indazole-3-carboxamide?
The InChIKey is ZYSLWKFNDMBUFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H32F2N6O2/c1-19-17-39(18-20(2)41-19)28-6-4-25(16-35-28)36-30(40)29-26-13-23(3-5-27(26)37-38-29)24-12-22(14-34-15-24)11-21-7-9-31(32,33)10-8-21/h3-7,12-16,19-20H,8-11,17-18H2,1-2H3,(H,36,40)(H,37,38).
What are the key properties of 5-[5-[(4,4-difluorocyclohexen-1-yl)methyl]-3-pyridinyl]-N-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]-1H-indazole-3-carboxamide?
5-[5-[(4,4-difluorocyclohexen-1-yl)methyl]-3-pyridinyl]-N-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]-1H-indazole-3-carboxamide has a molecular weight of 558.63 g/mol, XLogP of 6.17, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[(4,4-difluorocyclohexen-1-yl)methyl]-3-pyridinyl]-N-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 123922801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).