[1-(7-aminopyrido[2,3-d]pyrimidin-4-yl)-4-(2,2-difluoroethyl)piperidin-4-yl]methanol

C15H19F2N5O — CID 166307195

IUPAC[1-(7-aminopyrido[2,3-d]pyrimidin-4-yl)-4-(2,2-difluoroethyl)piperidin-4-yl]methanol
SMILESNc1ccc2c(N3CCC(CO)(CC(F)F)CC3)ncnc2n1
InChIInChI=1S/C15H19F2N5O/c16-11(17)7-15(8-23)3-5-22(6-4-15)14-10-1-2-12(18)21-13(10)19-9-20-14/h1-2,9,11,23H,3-8H2,(H2,18,19,20,21)
InChIKeyDBEIZFIAEONJCM-UHFFFAOYSA-N
MW323.35 g/mol
LogP1.84
Rot. Bonds4

About [1-(7-aminopyrido[2,3-d]pyrimidin-4-yl)-4-(2,2-difluoroethyl)piperidin-4-yl]methanol

[1-(7-aminopyrido[2,3-d]pyrimidin-4-yl)-4-(2,2-difluoroethyl)piperidin-4-yl]methanol (PubChem CID 166307195) has the molecular formula C15H19F2N5O and a molecular weight of 323.35 g/mol. Its IUPAC name is [1-(7-aminopyrido[2,3-d]pyrimidin-4-yl)-4-(2,2-difluoroethyl)piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-(7-aminopyrido[2,3-d]pyrimidin-4-yl)-4-(2,2-difluoroethyl)piperidin-4-yl]methanol
PubChem CID166307195
Molecular FormulaC15H19F2N5O
Molecular Weight323.35 g/mol
Exact Mass323.16
IUPAC Name[1-(7-aminopyrido[2,3-d]pyrimidin-4-yl)-4-(2,2-difluoroethyl)piperidin-4-yl]methanol
SMILESNc1ccc2c(N3CCC(CO)(CC(F)F)CC3)ncnc2n1
InChIInChI=1S/C15H19F2N5O/c16-11(17)7-15(8-23)3-5-22(6-4-15)14-10-1-2-12(18)21-13(10)19-9-20-14/h1-2,9,11,23H,3-8H2,(H2,18,19,20,21)
InChIKeyDBEIZFIAEONJCM-UHFFFAOYSA-N
XLogP1.84
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[1-(7-aminopyrido[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 133408361
[4-(7-aminopyrido[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-cyclopentylmethanone
CID 133408843
4-[4-(2-methoxyethyl)piperazin-1-yl]pyrido[2,3-d]pyrimidin-7-amine
CID 133408246
[4-(7-aminopyrido[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-(4-ethylphenyl)methanone
CID 133409016
4-[(9S)-9-(trifluoromethyl)-6-azaspiro[3.5]nonan-6-yl]pyrido[2,3-d]pyrimidin-7-amine
CID 129344710
4-[(9R)-9-(trifluoromethyl)-6-azaspiro[3.5]nonan-6-yl]pyrido[2,3-d]pyrimidin-7-amine
CID 129344709
4-[4-(1,3-thiazol-2-yl)-1,4-diazepan-1-yl]pyrido[2,3-d]pyrimidin-7-amine
CID 75434688
4-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-7-amine
CID 133407155
4-[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]pyrido[2,3-d]pyrimidin-7-amine
CID 133408364
4-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-7-amine
CID 133407178
[1-(2-chloro-5-iodo-4-pyridinyl)-4-(2,2-difluoroethyl)piperidin-4-yl]methanol
CID 172626660
4-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]pyrido[2,3-d]pyrimidin-7-amine
CID 133407726

Frequently Asked Questions

What is the IUPAC name of [1-(7-aminopyrido[2,3-d]pyrimidin-4-yl)-4-(2,2-difluoroethyl)piperidin-4-yl]methanol?
The IUPAC name of [1-(7-aminopyrido[2,3-d]pyrimidin-4-yl)-4-(2,2-difluoroethyl)piperidin-4-yl]methanol (CID 166307195) is [1-(7-aminopyrido[2,3-d]pyrimidin-4-yl)-4-(2,2-difluoroethyl)piperidin-4-yl]methanol.
What is the SMILES notation for [1-(7-aminopyrido[2,3-d]pyrimidin-4-yl)-4-(2,2-difluoroethyl)piperidin-4-yl]methanol?
The canonical SMILES for [1-(7-aminopyrido[2,3-d]pyrimidin-4-yl)-4-(2,2-difluoroethyl)piperidin-4-yl]methanol is Nc1ccc2c(N3CCC(CO)(CC(F)F)CC3)ncnc2n1.
What is the InChIKey of [1-(7-aminopyrido[2,3-d]pyrimidin-4-yl)-4-(2,2-difluoroethyl)piperidin-4-yl]methanol?
The InChIKey is DBEIZFIAEONJCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2N5O/c16-11(17)7-15(8-23)3-5-22(6-4-15)14-10-1-2-12(18)21-13(10)19-9-20-14/h1-2,9,11,23H,3-8H2,(H2,18,19,20,21).
What are the key properties of [1-(7-aminopyrido[2,3-d]pyrimidin-4-yl)-4-(2,2-difluoroethyl)piperidin-4-yl]methanol?
[1-(7-aminopyrido[2,3-d]pyrimidin-4-yl)-4-(2,2-difluoroethyl)piperidin-4-yl]methanol has a molecular weight of 323.35 g/mol, XLogP of 1.84, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(7-aminopyrido[2,3-d]pyrimidin-4-yl)-4-(2,2-difluoroethyl)piperidin-4-yl]methanol is sourced from PubChem (CID 166307195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).