N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)-4-morpholin-4-ylpyridin-2-amine

C20H27F2N5O — CID 139300373

IUPACN-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)-4-morpholin-4-ylpyridin-2-amine
SMILESCc1cc(C)n(-c2cc(N3CCOCC3)cc(NC3CCC(F)(F)CC3)n2)n1
InChIInChI=1S/C20H27F2N5O/c1-14-11-15(2)27(25-14)19-13-17(26-7-9-28-10-8-26)12-18(24-19)23-16-3-5-20(21,22)6-4-16/h11-13,16H,3-10H2,1-2H3,(H,23,24)
InChIKeyCVAMKFIAFJSULV-UHFFFAOYSA-N
MW391.47 g/mol
LogP3.71
Rot. Bonds4

About N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)-4-morpholin-4-ylpyridin-2-amine

N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)-4-morpholin-4-ylpyridin-2-amine (PubChem CID 139300373) has the molecular formula C20H27F2N5O and a molecular weight of 391.47 g/mol. Its IUPAC name is N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)-4-morpholin-4-ylpyridin-2-amine.

Molecular Properties

Compound NameN-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)-4-morpholin-4-ylpyridin-2-amine
PubChem CID139300373
Molecular FormulaC20H27F2N5O
Molecular Weight391.47 g/mol
Exact Mass391.22
IUPAC NameN-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)-4-morpholin-4-ylpyridin-2-amine
SMILESCc1cc(C)n(-c2cc(N3CCOCC3)cc(NC3CCC(F)(F)CC3)n2)n1
InChIInChI=1S/C20H27F2N5O/c1-14-11-15(2)27(25-14)19-13-17(26-7-9-28-10-8-26)12-18(24-19)23-16-3-5-20(21,22)6-4-16/h11-13,16H,3-10H2,1-2H3,(H,23,24)
InChIKeyCVAMKFIAFJSULV-UHFFFAOYSA-N
XLogP3.71
TPSA55.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)-4-morpholin-4-ylpyridin-2-amine?
The IUPAC name of N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)-4-morpholin-4-ylpyridin-2-amine (CID 139300373) is N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)-4-morpholin-4-ylpyridin-2-amine.
What is the SMILES notation for N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)-4-morpholin-4-ylpyridin-2-amine?
The canonical SMILES for N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)-4-morpholin-4-ylpyridin-2-amine is Cc1cc(C)n(-c2cc(N3CCOCC3)cc(NC3CCC(F)(F)CC3)n2)n1.
What is the InChIKey of N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)-4-morpholin-4-ylpyridin-2-amine?
The InChIKey is CVAMKFIAFJSULV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27F2N5O/c1-14-11-15(2)27(25-14)19-13-17(26-7-9-28-10-8-26)12-18(24-19)23-16-3-5-20(21,22)6-4-16/h11-13,16H,3-10H2,1-2H3,(H,23,24).
What are the key properties of N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)-4-morpholin-4-ylpyridin-2-amine?
N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)-4-morpholin-4-ylpyridin-2-amine has a molecular weight of 391.47 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)-4-morpholin-4-ylpyridin-2-amine is sourced from PubChem (CID 139300373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).