1-(2-chloro-8-fluoro-7-methylpyrido[4,3-d]pyrimidin-4-yl)piperidin-3-ol

C13H14ClFN4O — CID 164535029

IUPAC1-(2-chloro-8-fluoro-7-methylpyrido[4,3-d]pyrimidin-4-yl)piperidin-3-ol
SMILESCc1ncc2c(N3CCCC(O)C3)nc(Cl)nc2c1F
InChIInChI=1S/C13H14ClFN4O/c1-7-10(15)11-9(5-16-7)12(18-13(14)17-11)19-4-2-3-8(20)6-19/h5,8,20H,2-4,6H2,1H3
InChIKeyISWAFPUKEFSAQK-UHFFFAOYSA-N
MW296.73 g/mol
LogP2.09
Rot. Bonds1

About 1-(2-chloro-8-fluoro-7-methylpyrido[4,3-d]pyrimidin-4-yl)piperidin-3-ol

1-(2-chloro-8-fluoro-7-methylpyrido[4,3-d]pyrimidin-4-yl)piperidin-3-ol (PubChem CID 164535029) has the molecular formula C13H14ClFN4O and a molecular weight of 296.73 g/mol. Its IUPAC name is 1-(2-chloro-8-fluoro-7-methylpyrido[4,3-d]pyrimidin-4-yl)piperidin-3-ol.

Molecular Properties

Compound Name1-(2-chloro-8-fluoro-7-methylpyrido[4,3-d]pyrimidin-4-yl)piperidin-3-ol
PubChem CID164535029
Molecular FormulaC13H14ClFN4O
Molecular Weight296.73 g/mol
Exact Mass296.08
IUPAC Name1-(2-chloro-8-fluoro-7-methylpyrido[4,3-d]pyrimidin-4-yl)piperidin-3-ol
SMILESCc1ncc2c(N3CCCC(O)C3)nc(Cl)nc2c1F
InChIInChI=1S/C13H14ClFN4O/c1-7-10(15)11-9(5-16-7)12(18-13(14)17-11)19-4-2-3-8(20)6-19/h5,8,20H,2-4,6H2,1H3
InChIKeyISWAFPUKEFSAQK-UHFFFAOYSA-N
XLogP2.09
TPSA62.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.73
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(2-chloro-8-fluoro-7-methylpyrido[4,3-d]pyrimidin-4-yl)piperidin-3-ol with MolForge

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Launch Full Analysis

Related Compounds

(3S)-1-(2-quinolin-3-ylpyrimidin-4-yl)piperidin-3-ol
CID 95141278
(3S)-1-[2-[(4,6-dimethyl-2-pyridinyl)methyl-methylamino]pyrimidin-4-yl]piperidin-3-ol
CID 164632315
1-[2-fluoro-6-(5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-4-pyridinyl]azetidin-3-ol
CID 139367421
1-[2-fluoro-6-(5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-4-pyridinyl]pyrrolidin-3-ol
CID 139367487
1-[2-fluoro-6-(5-methyl-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-4-pyridinyl]pyrrolidin-3-ol
CID 139367522
tert-butyl (2S)-4-(2-chloro-8-fluoro-7-methylpyrido[4,3-d]pyrimidin-4-yl)-2-methylpiperazine-1-carboxylate
CID 154644192
(3S)-1-[6-(6-fluoro-3-pyridinyl)-2-pyridin-3-ylpyrimidin-4-yl]pyrrolidin-3-ol
CID 156866222
4-[(5-Amino-8-fluoropyrido[4,3-d]pyrimidin-2-yl)amino]cyclohexan-1-ol
CID 163410562
4-[[5-Amino-8-(trifluoromethyl)pyrido[4,3-d]pyrimidin-2-yl]amino]cyclohexan-1-ol
CID 164114234
2-[(4-Fluoro-1-methylpiperidin-4-yl)methoxy]pyrido[4,3-d]pyrimidine
CID 164521626
2,7-Dichloro-8-fluoro-4-(3-methylpiperidin-1-yl)pyrido[4,3-d]pyrimidine
CID 164534264
(3R)-1-(2,7-dichloro-8-fluoropyrido[4,3-d]pyrimidin-4-yl)-3-methylazepan-3-ol
CID 164534310

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-8-fluoro-7-methylpyrido[4,3-d]pyrimidin-4-yl)piperidin-3-ol?
The IUPAC name of 1-(2-chloro-8-fluoro-7-methylpyrido[4,3-d]pyrimidin-4-yl)piperidin-3-ol (CID 164535029) is 1-(2-chloro-8-fluoro-7-methylpyrido[4,3-d]pyrimidin-4-yl)piperidin-3-ol.
What is the SMILES notation for 1-(2-chloro-8-fluoro-7-methylpyrido[4,3-d]pyrimidin-4-yl)piperidin-3-ol?
The canonical SMILES for 1-(2-chloro-8-fluoro-7-methylpyrido[4,3-d]pyrimidin-4-yl)piperidin-3-ol is Cc1ncc2c(N3CCCC(O)C3)nc(Cl)nc2c1F.
What is the InChIKey of 1-(2-chloro-8-fluoro-7-methylpyrido[4,3-d]pyrimidin-4-yl)piperidin-3-ol?
The InChIKey is ISWAFPUKEFSAQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClFN4O/c1-7-10(15)11-9(5-16-7)12(18-13(14)17-11)19-4-2-3-8(20)6-19/h5,8,20H,2-4,6H2,1H3.
What are the key properties of 1-(2-chloro-8-fluoro-7-methylpyrido[4,3-d]pyrimidin-4-yl)piperidin-3-ol?
1-(2-chloro-8-fluoro-7-methylpyrido[4,3-d]pyrimidin-4-yl)piperidin-3-ol has a molecular weight of 296.73 g/mol, XLogP of 2.09, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-8-fluoro-7-methylpyrido[4,3-d]pyrimidin-4-yl)piperidin-3-ol is sourced from PubChem (CID 164535029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).