4-chloro-N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)pyridin-2-amine;2-N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)-4-N-(1,3-oxazol-2-ylmethyl)pyridine-2,4-diamine;1,3-oxazol-2-ylmethanamine

C40H49ClF4N12O2 — CID 160965113

IUPAC4-chloro-N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)pyridin-2-amine;2-N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)-4-N-(1,3-oxazol-2-ylmethyl)pyridine-2,4-diamine;1,3-oxazol-2-ylmethanamine
SMILESCc1cc(C)n(-c2cc(Cl)cc(NC3CCC(F)(F)CC3)n2)n1.Cc1cc(C)n(-c2cc(NCc3ncco3)cc(NC3CCC(F)(F)CC3)n2)n1.NCc1ncco1
InChIInChI=1S/C20H24F2N6O.C16H19ClF2N4.C4H6N2O/c1-13-9-14(2)28(27-13)18-11-16(24-12-19-23-7-8-29-19)10-17(26-18)25-15-3-5-20(21,22)6-4-15;1-10-7-11(2)23(22-10)15-9-12(17)8-14(21-15)20-13-3-5-16(18,19)6-4-13;5-3-4-6-1-2-7-4/h7-11,15H,3-6,12H2,1-2H3,(H2,24,25,26);7-9,13H,3-6H2,1-2H3,(H,20,21);1-2H,3,5H2
InChIKeySXNDIAUYGOKLKR-UHFFFAOYSA-N
MW841.36 g/mol
LogP9.13
Rot. Bonds10

About 4-chloro-N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)pyridin-2-amine;2-N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)-4-N-(1,3-oxazol-2-ylmethyl)pyridine-2,4-diamine;1,3-oxazol-2-ylmethanamine

4-chloro-N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)pyridin-2-amine;2-N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)-4-N-(1,3-oxazol-2-ylmethyl)pyridine-2,4-diamine;1,3-oxazol-2-ylmethanamine (PubChem CID 160965113) has the molecular formula C40H49ClF4N12O2 and a molecular weight of 841.36 g/mol. Its IUPAC name is 4-chloro-N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)pyridin-2-amine;2-N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)-4-N-(1,3-oxazol-2-ylmethyl)pyridine-2,4-diamine;1,3-oxazol-2-ylmethanamine.

Molecular Properties

Compound Name4-chloro-N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)pyridin-2-amine;2-N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)-4-N-(1,3-oxazol-2-ylmethyl)pyridine-2,4-diamine;1,3-oxazol-2-ylmethanamine
PubChem CID160965113
Molecular FormulaC40H49ClF4N12O2
Molecular Weight841.36 g/mol
Exact Mass840.37
IUPAC Name4-chloro-N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)pyridin-2-amine;2-N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)-4-N-(1,3-oxazol-2-ylmethyl)pyridine-2,4-diamine;1,3-oxazol-2-ylmethanamine
SMILESCc1cc(C)n(-c2cc(Cl)cc(NC3CCC(F)(F)CC3)n2)n1.Cc1cc(C)n(-c2cc(NCc3ncco3)cc(NC3CCC(F)(F)CC3)n2)n1.NCc1ncco1
InChIInChI=1S/C20H24F2N6O.C16H19ClF2N4.C4H6N2O/c1-13-9-14(2)28(27-13)18-11-16(24-12-19-23-7-8-29-19)10-17(26-18)25-15-3-5-20(21,22)6-4-15;1-10-7-11(2)23(22-10)15-9-12(17)8-14(21-15)20-13-3-5-16(18,19)6-4-13;5-3-4-6-1-2-7-4/h7-11,15H,3-6,12H2,1-2H3,(H2,24,25,26);7-9,13H,3-6H2,1-2H3,(H,20,21);1-2H,3,5H2
InChIKeySXNDIAUYGOKLKR-UHFFFAOYSA-N
XLogP9.13
TPSA175.59 Ų
H-Bond Donors4
H-Bond Acceptors14
Rotatable Bonds10
Heavy Atoms59
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500841.36
LogP ≤ 59.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1014

Analyze 4-chloro-N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)pyridin-2-amine;2-N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)-4-N-(1,3-oxazol-2-ylmethyl)pyridine-2,4-diamine;1,3-oxazol-2-ylmethanamine 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

2-N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)-4-N-(1,3-oxazol-2-ylmethyl)pyridine-2,4-diamine
CID 132206946
6-chloro-N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine;4-N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)-6-N-(1,3-oxazol-2-ylmethyl)pyrimidine-4,6-diamine;1,3-oxazol-2-ylmethanamine
CID 157619320
4-[bromo(1,3-oxazol-2-yl)methyl]-N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)pyridin-2-amine;N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)-4-(1,3-oxazol-2-ylmethyl)pyridin-2-amine
CID 158688637
4-chloro-N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)pyridin-2-amine;2-N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)-4-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyridine-2,4-diamine;(5-methyl-1,3,4-oxadiazol-2-yl)methanamine
CID 161375840
6-chloro-2-(3,5-dimethylpyrazol-1-yl)-N-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine;2-(3,5-dimethylpyrazol-1-yl)-6-N-(1,3-oxazol-2-ylmethyl)-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;1,3-oxazol-2-ylmethanamine
CID 161579166

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)pyridin-2-amine;2-N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)-4-N-(1,3-oxazol-2-ylmethyl)pyridine-2,4-diamine;1,3-oxazol-2-ylmethanamine?
The IUPAC name of 4-chloro-N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)pyridin-2-amine;2-N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)-4-N-(1,3-oxazol-2-ylmethyl)pyridine-2,4-diamine;1,3-oxazol-2-ylmethanamine (CID 160965113) is 4-chloro-N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)pyridin-2-amine;2-N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)-4-N-(1,3-oxazol-2-ylmethyl)pyridine-2,4-diamine;1,3-oxazol-2-ylmethanamine.
What is the SMILES notation for 4-chloro-N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)pyridin-2-amine;2-N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)-4-N-(1,3-oxazol-2-ylmethyl)pyridine-2,4-diamine;1,3-oxazol-2-ylmethanamine?
The canonical SMILES for 4-chloro-N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)pyridin-2-amine;2-N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)-4-N-(1,3-oxazol-2-ylmethyl)pyridine-2,4-diamine;1,3-oxazol-2-ylmethanamine is Cc1cc(C)n(-c2cc(Cl)cc(NC3CCC(F)(F)CC3)n2)n1.Cc1cc(C)n(-c2cc(NCc3ncco3)cc(NC3CCC(F)(F)CC3)n2)n1.NCc1ncco1.
What is the InChIKey of 4-chloro-N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)pyridin-2-amine;2-N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)-4-N-(1,3-oxazol-2-ylmethyl)pyridine-2,4-diamine;1,3-oxazol-2-ylmethanamine?
The InChIKey is SXNDIAUYGOKLKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F2N6O.C16H19ClF2N4.C4H6N2O/c1-13-9-14(2)28(27-13)18-11-16(24-12-19-23-7-8-29-19)10-17(26-18)25-15-3-5-20(21,22)6-4-15;1-10-7-11(2)23(22-10)15-9-12(17)8-14(21-15)20-13-3-5-16(18,19)6-4-13;5-3-4-6-1-2-7-4/h7-11,15H,3-6,12H2,1-2H3,(H2,24,25,26);7-9,13H,3-6H2,1-2H3,(H,20,21);1-2H,3,5H2.
What are the key properties of 4-chloro-N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)pyridin-2-amine;2-N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)-4-N-(1,3-oxazol-2-ylmethyl)pyridine-2,4-diamine;1,3-oxazol-2-ylmethanamine?
4-chloro-N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)pyridin-2-amine;2-N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)-4-N-(1,3-oxazol-2-ylmethyl)pyridine-2,4-diamine;1,3-oxazol-2-ylmethanamine has a molecular weight of 841.36 g/mol, XLogP of 9.13, 10 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)pyridin-2-amine;2-N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)-4-N-(1,3-oxazol-2-ylmethyl)pyridine-2,4-diamine;1,3-oxazol-2-ylmethanamine is sourced from PubChem (CID 160965113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).