4-chloro-N-(4,4-difluorocyclohexyl)-6-(3-methylpyrazol-1-yl)pyridin-2-amine;2,4-dichloro-6-(3-methylpyrazol-1-yl)pyridine;4,4-difluorocyclohexan-1-amine

C30H35Cl3F4N8 — CID 159015948

IUPAC4-chloro-N-(4,4-difluorocyclohexyl)-6-(3-methylpyrazol-1-yl)pyridin-2-amine;2,4-dichloro-6-(3-methylpyrazol-1-yl)pyridine;4,4-difluorocyclohexan-1-amine
SMILESCc1ccn(-c2cc(Cl)cc(Cl)n2)n1.Cc1ccn(-c2cc(Cl)cc(NC3CCC(F)(F)CC3)n2)n1.NC1CCC(F)(F)CC1
InChIInChI=1S/C15H17ClF2N4.C9H7Cl2N3.C6H11F2N/c1-10-4-7-22(21-10)14-9-11(16)8-13(20-14)19-12-2-5-15(17,18)6-3-12;1-6-2-3-14(13-6)9-5-7(10)4-8(11)12-9;7-6(8)3-1-5(9)2-4-6/h4,7-9,12H,2-3,5-6H2,1H3,(H,19,20);2-5H,1H3;5H,1-4,9H2
InChIKeyJTBYMCNNFBVULW-UHFFFAOYSA-N
MW690.02 g/mol
LogP8.62
Rot. Bonds4

About 4-chloro-N-(4,4-difluorocyclohexyl)-6-(3-methylpyrazol-1-yl)pyridin-2-amine;2,4-dichloro-6-(3-methylpyrazol-1-yl)pyridine;4,4-difluorocyclohexan-1-amine

4-chloro-N-(4,4-difluorocyclohexyl)-6-(3-methylpyrazol-1-yl)pyridin-2-amine;2,4-dichloro-6-(3-methylpyrazol-1-yl)pyridine;4,4-difluorocyclohexan-1-amine (PubChem CID 159015948) has the molecular formula C30H35Cl3F4N8 and a molecular weight of 690.02 g/mol. Its IUPAC name is 4-chloro-N-(4,4-difluorocyclohexyl)-6-(3-methylpyrazol-1-yl)pyridin-2-amine;2,4-dichloro-6-(3-methylpyrazol-1-yl)pyridine;4,4-difluorocyclohexan-1-amine.

Molecular Properties

Compound Name4-chloro-N-(4,4-difluorocyclohexyl)-6-(3-methylpyrazol-1-yl)pyridin-2-amine;2,4-dichloro-6-(3-methylpyrazol-1-yl)pyridine;4,4-difluorocyclohexan-1-amine
PubChem CID159015948
Molecular FormulaC30H35Cl3F4N8
Molecular Weight690.02 g/mol
Exact Mass688.20
IUPAC Name4-chloro-N-(4,4-difluorocyclohexyl)-6-(3-methylpyrazol-1-yl)pyridin-2-amine;2,4-dichloro-6-(3-methylpyrazol-1-yl)pyridine;4,4-difluorocyclohexan-1-amine
SMILESCc1ccn(-c2cc(Cl)cc(Cl)n2)n1.Cc1ccn(-c2cc(Cl)cc(NC3CCC(F)(F)CC3)n2)n1.NC1CCC(F)(F)CC1
InChIInChI=1S/C15H17ClF2N4.C9H7Cl2N3.C6H11F2N/c1-10-4-7-22(21-10)14-9-11(16)8-13(20-14)19-12-2-5-15(17,18)6-3-12;1-6-2-3-14(13-6)9-5-7(10)4-8(11)12-9;7-6(8)3-1-5(9)2-4-6/h4,7-9,12H,2-3,5-6H2,1H3,(H,19,20);2-5H,1H3;5H,1-4,9H2
InChIKeyJTBYMCNNFBVULW-UHFFFAOYSA-N
XLogP8.62
TPSA99.47 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500690.02
LogP ≤ 58.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 4-chloro-N-(4,4-difluorocyclohexyl)-6-(3-methylpyrazol-1-yl)pyridin-2-amine;2,4-dichloro-6-(3-methylpyrazol-1-yl)pyridine;4,4-difluorocyclohexan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Arylpyrazole, 21
CID 44143421
Arylpyrazole, 29
CID 44143429
5-chloro-4-(1-methyl-1H-pyrazol-3-yl)-N-(4-(3-(6-methylpyridin-3-yl)-1H-1,2,4-triazol-1-yl)phenyl)pyridin-2-amine
CID 54580615
US11208400, Example 474
CID 134440133
US11208400, Example 550
CID 134440894
US11208400, Example 553
CID 134440915
3,5-dichloro-N-(5-methyl-2-pyridin-2-ylpyrazol-3-yl)pyridin-2-amine
CID 2999524
US11208400, Example 481
CID 146396505
2-N-(3-chlorophenyl)-7-N-(2,2-difluoro-2-pyridin-2-ylethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2,7-diamine
CID 10295354
N-(2,6-dichlorophenyl)-6-[3-(trifluoromethyl)pyrazol-1-yl]-N-[6-[3-(trifluoromethyl)pyrazol-1-yl]pyridin-2-yl]pyridin-2-amine
CID 57622767
3-[1-(3-chloro-2-fluorophenyl)tetrazol-5-yl]-5-[1-[(3S)-piperidin-3-yl]pyrazol-4-yl]pyrazin-2-amine
CID 58179807
3-[1-(3-Chloro-2-fluorophenyl)tetrazol-5-yl]-5-(3,5-dimethyl-1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine
CID 58179938

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(4,4-difluorocyclohexyl)-6-(3-methylpyrazol-1-yl)pyridin-2-amine;2,4-dichloro-6-(3-methylpyrazol-1-yl)pyridine;4,4-difluorocyclohexan-1-amine?
The IUPAC name of 4-chloro-N-(4,4-difluorocyclohexyl)-6-(3-methylpyrazol-1-yl)pyridin-2-amine;2,4-dichloro-6-(3-methylpyrazol-1-yl)pyridine;4,4-difluorocyclohexan-1-amine (CID 159015948) is 4-chloro-N-(4,4-difluorocyclohexyl)-6-(3-methylpyrazol-1-yl)pyridin-2-amine;2,4-dichloro-6-(3-methylpyrazol-1-yl)pyridine;4,4-difluorocyclohexan-1-amine.
What is the SMILES notation for 4-chloro-N-(4,4-difluorocyclohexyl)-6-(3-methylpyrazol-1-yl)pyridin-2-amine;2,4-dichloro-6-(3-methylpyrazol-1-yl)pyridine;4,4-difluorocyclohexan-1-amine?
The canonical SMILES for 4-chloro-N-(4,4-difluorocyclohexyl)-6-(3-methylpyrazol-1-yl)pyridin-2-amine;2,4-dichloro-6-(3-methylpyrazol-1-yl)pyridine;4,4-difluorocyclohexan-1-amine is Cc1ccn(-c2cc(Cl)cc(Cl)n2)n1.Cc1ccn(-c2cc(Cl)cc(NC3CCC(F)(F)CC3)n2)n1.NC1CCC(F)(F)CC1.
What is the InChIKey of 4-chloro-N-(4,4-difluorocyclohexyl)-6-(3-methylpyrazol-1-yl)pyridin-2-amine;2,4-dichloro-6-(3-methylpyrazol-1-yl)pyridine;4,4-difluorocyclohexan-1-amine?
The InChIKey is JTBYMCNNFBVULW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClF2N4.C9H7Cl2N3.C6H11F2N/c1-10-4-7-22(21-10)14-9-11(16)8-13(20-14)19-12-2-5-15(17,18)6-3-12;1-6-2-3-14(13-6)9-5-7(10)4-8(11)12-9;7-6(8)3-1-5(9)2-4-6/h4,7-9,12H,2-3,5-6H2,1H3,(H,19,20);2-5H,1H3;5H,1-4,9H2.
What are the key properties of 4-chloro-N-(4,4-difluorocyclohexyl)-6-(3-methylpyrazol-1-yl)pyridin-2-amine;2,4-dichloro-6-(3-methylpyrazol-1-yl)pyridine;4,4-difluorocyclohexan-1-amine?
4-chloro-N-(4,4-difluorocyclohexyl)-6-(3-methylpyrazol-1-yl)pyridin-2-amine;2,4-dichloro-6-(3-methylpyrazol-1-yl)pyridine;4,4-difluorocyclohexan-1-amine has a molecular weight of 690.02 g/mol, XLogP of 8.62, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(4,4-difluorocyclohexyl)-6-(3-methylpyrazol-1-yl)pyridin-2-amine;2,4-dichloro-6-(3-methylpyrazol-1-yl)pyridine;4,4-difluorocyclohexan-1-amine is sourced from PubChem (CID 159015948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).