[2-[(4,4-difluorocyclohexyl)amino]-6-(3-methylpyrazol-1-yl)-4-pyridinyl]methanol;N-(4,4-difluorocyclohexyl)-4-(fluoromethyl)-6-(3-methylpyrazol-1-yl)pyridin-2-amine

C32H39F5N8O — CID 161479521

IUPAC[2-[(4,4-difluorocyclohexyl)amino]-6-(3-methylpyrazol-1-yl)-4-pyridinyl]methanol;N-(4,4-difluorocyclohexyl)-4-(fluoromethyl)-6-(3-methylpyrazol-1-yl)pyridin-2-amine
SMILESCc1ccn(-c2cc(CF)cc(NC3CCC(F)(F)CC3)n2)n1.Cc1ccn(-c2cc(CO)cc(NC3CCC(F)(F)CC3)n2)n1
InChIInChI=1S/C16H19F3N4.C16H20F2N4O/c1-11-4-7-23(22-11)15-9-12(10-17)8-14(21-15)20-13-2-5-16(18,19)6-3-13;1-11-4-7-22(21-11)15-9-12(10-23)8-14(20-15)19-13-2-5-16(17,18)6-3-13/h4,7-9,13H,2-3,5-6,10H2,1H3,(H,20,21);4,7-9,13,23H,2-3,5-6,10H2,1H3,(H,19,20)
InChIKeyWEDZWBOCKXJYNW-UHFFFAOYSA-N
MW646.71 g/mol
LogP7.09
Rot. Bonds8

About [2-[(4,4-difluorocyclohexyl)amino]-6-(3-methylpyrazol-1-yl)-4-pyridinyl]methanol;N-(4,4-difluorocyclohexyl)-4-(fluoromethyl)-6-(3-methylpyrazol-1-yl)pyridin-2-amine

[2-[(4,4-difluorocyclohexyl)amino]-6-(3-methylpyrazol-1-yl)-4-pyridinyl]methanol;N-(4,4-difluorocyclohexyl)-4-(fluoromethyl)-6-(3-methylpyrazol-1-yl)pyridin-2-amine (PubChem CID 161479521) has the molecular formula C32H39F5N8O and a molecular weight of 646.71 g/mol. Its IUPAC name is [2-[(4,4-difluorocyclohexyl)amino]-6-(3-methylpyrazol-1-yl)-4-pyridinyl]methanol;N-(4,4-difluorocyclohexyl)-4-(fluoromethyl)-6-(3-methylpyrazol-1-yl)pyridin-2-amine.

Molecular Properties

Compound Name[2-[(4,4-difluorocyclohexyl)amino]-6-(3-methylpyrazol-1-yl)-4-pyridinyl]methanol;N-(4,4-difluorocyclohexyl)-4-(fluoromethyl)-6-(3-methylpyrazol-1-yl)pyridin-2-amine
PubChem CID161479521
Molecular FormulaC32H39F5N8O
Molecular Weight646.71 g/mol
Exact Mass646.32
IUPAC Name[2-[(4,4-difluorocyclohexyl)amino]-6-(3-methylpyrazol-1-yl)-4-pyridinyl]methanol;N-(4,4-difluorocyclohexyl)-4-(fluoromethyl)-6-(3-methylpyrazol-1-yl)pyridin-2-amine
SMILESCc1ccn(-c2cc(CF)cc(NC3CCC(F)(F)CC3)n2)n1.Cc1ccn(-c2cc(CO)cc(NC3CCC(F)(F)CC3)n2)n1
InChIInChI=1S/C16H19F3N4.C16H20F2N4O/c1-11-4-7-23(22-11)15-9-12(10-17)8-14(21-15)20-13-2-5-16(18,19)6-3-13;1-11-4-7-22(21-11)15-9-12(10-23)8-14(20-15)19-13-2-5-16(17,18)6-3-13/h4,7-9,13H,2-3,5-6,10H2,1H3,(H,20,21);4,7-9,13,23H,2-3,5-6,10H2,1H3,(H,19,20)
InChIKeyWEDZWBOCKXJYNW-UHFFFAOYSA-N
XLogP7.09
TPSA105.71 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500646.71
LogP ≤ 57.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze [2-[(4,4-difluorocyclohexyl)amino]-6-(3-methylpyrazol-1-yl)-4-pyridinyl]methanol;N-(4,4-difluorocyclohexyl)-4-(fluoromethyl)-6-(3-methylpyrazol-1-yl)pyridin-2-amine with MolForge

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Related Compounds

[1-[3-Fluoro-4-[[2-(piperidin-4-ylamino)-1,6-naphthyridin-7-yl]amino]phenyl]pyrazol-3-yl]methanol
CID 156212505
4-[[2-amino-6-[4-[(E)-3-[4-(3,5-difluorophenyl)piperazin-1-yl]prop-1-enyl]-5-methylpyrazol-1-yl]pyrimidin-4-yl]amino]butan-1-ol
CID 18520556
4-[[2-Amino-6-[4-[3-[4-(3,5-difluorophenyl)piperazin-1-yl]prop-1-enyl]-5-methylpyrazol-1-yl]pyrimidin-4-yl]amino]butan-1-ol
CID 70012313
[2-(difluoromethyl)-3-fluoro-4-pyridinyl]-[4-[3-[4-(6-methyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]cyclobutyl]piperazin-1-yl]methanol
CID 123796619
[4-[3-(aminomethyl)-3-[4-(4,7-dihydro-1H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]azetidin-1-yl]piperidin-1-yl]-[3-fluoro-6-(methylaminomethyl)-2-(trifluoromethyl)-4-pyridinyl]methanol
CID 124003165
[2,6-Bis(2,5-dimethylpyrrol-1-yl)-4-pyridinyl]-[1-(4-fluorophenyl)pyrazol-4-yl]methanol
CID 126650017
[[6-[5-Cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]pyridin-3-yl]amino]-(3-fluoropyridin-4-yl)methanol
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[2-[(4,4-Difluorocyclohexyl)amino]-6-(3-methylpyrazol-1-yl)pyridin-4-yl]methanol
CID 132206748
N-(4,4-difluorocyclohexyl)-4-(methoxymethyl)-6-(3-methylpyrazol-1-yl)pyridin-2-amine
CID 132206750
2-[1-[6-[(4,4-Difluorocyclohexyl)amino]-4-methylpyridin-2-yl]pyrazol-3-yl]propan-2-ol
CID 132206955
1-[2-[(4,4-Difluorocyclohexyl)amino]-6-(3,5-dimethylpyrazol-1-yl)pyridin-4-yl]-2-(2-methyltriazol-4-yl)ethanol
CID 132207037
1-[2-[(4,4-Difluorocyclohexyl)amino]-6-(3-methylpyrazol-1-yl)pyridin-4-yl]-2-(1-methyltriazol-4-yl)ethanol
CID 132207039

Frequently Asked Questions

What is the IUPAC name of [2-[(4,4-difluorocyclohexyl)amino]-6-(3-methylpyrazol-1-yl)-4-pyridinyl]methanol;N-(4,4-difluorocyclohexyl)-4-(fluoromethyl)-6-(3-methylpyrazol-1-yl)pyridin-2-amine?
The IUPAC name of [2-[(4,4-difluorocyclohexyl)amino]-6-(3-methylpyrazol-1-yl)-4-pyridinyl]methanol;N-(4,4-difluorocyclohexyl)-4-(fluoromethyl)-6-(3-methylpyrazol-1-yl)pyridin-2-amine (CID 161479521) is [2-[(4,4-difluorocyclohexyl)amino]-6-(3-methylpyrazol-1-yl)-4-pyridinyl]methanol;N-(4,4-difluorocyclohexyl)-4-(fluoromethyl)-6-(3-methylpyrazol-1-yl)pyridin-2-amine.
What is the SMILES notation for [2-[(4,4-difluorocyclohexyl)amino]-6-(3-methylpyrazol-1-yl)-4-pyridinyl]methanol;N-(4,4-difluorocyclohexyl)-4-(fluoromethyl)-6-(3-methylpyrazol-1-yl)pyridin-2-amine?
The canonical SMILES for [2-[(4,4-difluorocyclohexyl)amino]-6-(3-methylpyrazol-1-yl)-4-pyridinyl]methanol;N-(4,4-difluorocyclohexyl)-4-(fluoromethyl)-6-(3-methylpyrazol-1-yl)pyridin-2-amine is Cc1ccn(-c2cc(CF)cc(NC3CCC(F)(F)CC3)n2)n1.Cc1ccn(-c2cc(CO)cc(NC3CCC(F)(F)CC3)n2)n1.
What is the InChIKey of [2-[(4,4-difluorocyclohexyl)amino]-6-(3-methylpyrazol-1-yl)-4-pyridinyl]methanol;N-(4,4-difluorocyclohexyl)-4-(fluoromethyl)-6-(3-methylpyrazol-1-yl)pyridin-2-amine?
The InChIKey is WEDZWBOCKXJYNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F3N4.C16H20F2N4O/c1-11-4-7-23(22-11)15-9-12(10-17)8-14(21-15)20-13-2-5-16(18,19)6-3-13;1-11-4-7-22(21-11)15-9-12(10-23)8-14(20-15)19-13-2-5-16(17,18)6-3-13/h4,7-9,13H,2-3,5-6,10H2,1H3,(H,20,21);4,7-9,13,23H,2-3,5-6,10H2,1H3,(H,19,20).
What are the key properties of [2-[(4,4-difluorocyclohexyl)amino]-6-(3-methylpyrazol-1-yl)-4-pyridinyl]methanol;N-(4,4-difluorocyclohexyl)-4-(fluoromethyl)-6-(3-methylpyrazol-1-yl)pyridin-2-amine?
[2-[(4,4-difluorocyclohexyl)amino]-6-(3-methylpyrazol-1-yl)-4-pyridinyl]methanol;N-(4,4-difluorocyclohexyl)-4-(fluoromethyl)-6-(3-methylpyrazol-1-yl)pyridin-2-amine has a molecular weight of 646.71 g/mol, XLogP of 7.09, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4,4-difluorocyclohexyl)amino]-6-(3-methylpyrazol-1-yl)-4-pyridinyl]methanol;N-(4,4-difluorocyclohexyl)-4-(fluoromethyl)-6-(3-methylpyrazol-1-yl)pyridin-2-amine is sourced from PubChem (CID 161479521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).