2-[[2-(1-fluorocyclobutyl)-4-[4-(2-methylphenyl)piperidin-1-yl]pyrido[3,4-d]pyrimidin-6-yl]-methylamino]ethanol

C26H32FN5O — CID 130352366

IUPAC2-[[2-(1-fluorocyclobutyl)-4-[4-(2-methylphenyl)piperidin-1-yl]pyrido[3,4-d]pyrimidin-6-yl]-methylamino]ethanol
SMILESCc1ccccc1C1CCN(c2nc(C3(F)CCC3)nc3cnc(N(C)CCO)cc23)CC1
InChIInChI=1S/C26H32FN5O/c1-18-6-3-4-7-20(18)19-8-12-32(13-9-19)24-21-16-23(31(2)14-15-33)28-17-22(21)29-25(30-24)26(27)10-5-11-26/h3-4,6-7,16-17,19,33H,5,8-15H2,1-2H3
InChIKeyAGVHVTZQPTUBJR-UHFFFAOYSA-N
MW449.57 g/mol
LogP4.49
Rot. Bonds6

About 2-[[2-(1-fluorocyclobutyl)-4-[4-(2-methylphenyl)piperidin-1-yl]pyrido[3,4-d]pyrimidin-6-yl]-methylamino]ethanol

2-[[2-(1-fluorocyclobutyl)-4-[4-(2-methylphenyl)piperidin-1-yl]pyrido[3,4-d]pyrimidin-6-yl]-methylamino]ethanol (PubChem CID 130352366) has the molecular formula C26H32FN5O and a molecular weight of 449.57 g/mol. Its IUPAC name is 2-[[2-(1-fluorocyclobutyl)-4-[4-(2-methylphenyl)piperidin-1-yl]pyrido[3,4-d]pyrimidin-6-yl]-methylamino]ethanol.

Molecular Properties

Compound Name2-[[2-(1-fluorocyclobutyl)-4-[4-(2-methylphenyl)piperidin-1-yl]pyrido[3,4-d]pyrimidin-6-yl]-methylamino]ethanol
PubChem CID130352366
Molecular FormulaC26H32FN5O
Molecular Weight449.57 g/mol
Exact Mass449.26
IUPAC Name2-[[2-(1-fluorocyclobutyl)-4-[4-(2-methylphenyl)piperidin-1-yl]pyrido[3,4-d]pyrimidin-6-yl]-methylamino]ethanol
SMILESCc1ccccc1C1CCN(c2nc(C3(F)CCC3)nc3cnc(N(C)CCO)cc23)CC1
InChIInChI=1S/C26H32FN5O/c1-18-6-3-4-7-20(18)19-8-12-32(13-9-19)24-21-16-23(31(2)14-15-33)28-17-22(21)29-25(30-24)26(27)10-5-11-26/h3-4,6-7,16-17,19,33H,5,8-15H2,1-2H3
InChIKeyAGVHVTZQPTUBJR-UHFFFAOYSA-N
XLogP4.49
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.57
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3R)-1-[2-(1-fluorocyclobutyl)-4-[4-(2-methylphenyl)piperidin-1-yl]pyrido[3,4-d]pyrimidin-6-yl]pyrrolidin-3-ol
CID 130352376
2-[[2-(1-fluorocyclobutyl)-4-[4-(3-methoxy-2-pyridinyl)piperidin-1-yl]pyrido[3,4-d]pyrimidin-6-yl]-methylamino]ethanol;(3S)-1-[2-(1-fluorocyclobutyl)-4-[4-(3-methoxy-2-pyridinyl)piperidin-1-yl]pyrido[3,4-d]pyrimidin-6-yl]pyrrolidin-3-ol;2-[[2-(1-fluorocyclopropyl)-4-[4-(3-methoxy-2-pyridinyl)piperidin-1-yl]pyrido[3,4-d]pyrimidin-6-yl]-methylamino]ethanol;(3S)-1-[2-(1-fluorocyclopropyl)-4-[4-(3-methoxy-2-pyridinyl)piperidin-1-yl]pyrido[3,4-d]pyrimidin-6-yl]pyrrolidin-3-ol
CID 159602989
2-[[4-(4-cyclohexylpiperidin-1-yl)-2-(1-fluorocyclopropyl)quinazolin-6-yl]-methylamino]ethanol;2-[4-[2-cyclopropyl-6-[2-hydroxyethyl(methyl)amino]quinazolin-4-yl]piperazin-1-yl]cyclopentan-1-ol;2-[4-[2-cyclopropyl-6-[methyl(2-morpholin-4-ylethyl)amino]quinazolin-4-yl]piperazin-1-yl]cyclopentan-1-ol;2-[4-[2-cyclopropyl-6-[methyl(propyl)amino]quinazolin-4-yl]piperazin-1-yl]cyclopentan-1-ol;2-[[2-(1-fluorocyclobutyl)-4-[4-(2-methylphenyl)piperidin-1-yl]pyrido[3,4-d]pyrimidin-6-yl]-methylamino]ethanol;(3S)-1-[2-(1-fluorocyclobutyl)-4-[4-(2-methylphenyl)piperidin-1-yl]pyrido[3,4-d]pyrimidin-6-yl]pyrrolidin-3-ol;2-[[2-(1-fluorocyclopropyl)-4-[4-(2-methylphenyl)piperidin-1-yl]pyrido[3,4-d]pyrimidin-6-yl]-methylamino]ethanol;(3S)-1-[2-(1-fluorocyclopropyl)-4-[4-(2-methylphenyl)piperidin-1-yl]pyrido[3,4-d]pyrimidin-6-yl]pyrrolidin-3-ol
CID 162133366
2-[[2-(1-fluorocyclopropyl)-4-[4-(2-methoxy-3-pyridinyl)piperidin-1-yl]quinazolin-6-yl]-methylamino]ethanol
CID 118617648
2-[[2-(1-fluorocyclobutyl)-4-[4-(3-methoxypyrazin-2-yl)piperidin-1-yl]quinazolin-6-yl]-methylamino]ethanol
CID 118610354
2-(1-fluorocyclopropyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]-6-pyrrolidin-1-ylpyrido[3,4-d]pyrimidine
CID 144986231
(3S)-1-[2-(1-fluorocyclopropyl)-4-[4-(3-methyl-2-pyridinyl)piperidin-1-yl]pyrido[3,4-d]pyrimidin-6-yl]pyrrolidin-3-ol
CID 130352391
2-[[2-(1-fluorocyclopropyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]methylamino]ethanol
CID 118610453
2-cyclopentyl-4-[4-[2-(dimethylamino)phenyl]piperidin-1-yl]-N-methyl-N-(2-morpholin-4-ylethyl)quinazolin-6-amine;4-[4-[2-(dimethylamino)phenyl]piperidin-1-yl]-2-(1-fluorocyclopentyl)-N-methyl-N-(2-morpholin-4-ylethyl)quinazolin-6-amine;2-[[4-[4-[2-(dimethylamino)phenyl]piperidin-1-yl]-2-(1-fluorocyclopentyl)quinazolin-6-yl]-methylamino]ethanol;2-[[2-(1-fluorocyclopentyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]-methylamino]ethanol
CID 159033519
2-[[4-[4-[2-(azetidin-1-yl)phenyl]piperidin-1-yl]-2-cyclopropylquinazolin-6-yl]-methylamino]ethanol
CID 118610326
(3R)-1-[2-(1-fluorocyclopropyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]pyrrolidin-3-ol
CID 130339637
[1-[2-(1-fluorocyclopropyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]pyrrolidin-3-yl]methanol
CID 144986208

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(1-fluorocyclobutyl)-4-[4-(2-methylphenyl)piperidin-1-yl]pyrido[3,4-d]pyrimidin-6-yl]-methylamino]ethanol?
The IUPAC name of 2-[[2-(1-fluorocyclobutyl)-4-[4-(2-methylphenyl)piperidin-1-yl]pyrido[3,4-d]pyrimidin-6-yl]-methylamino]ethanol (CID 130352366) is 2-[[2-(1-fluorocyclobutyl)-4-[4-(2-methylphenyl)piperidin-1-yl]pyrido[3,4-d]pyrimidin-6-yl]-methylamino]ethanol.
What is the SMILES notation for 2-[[2-(1-fluorocyclobutyl)-4-[4-(2-methylphenyl)piperidin-1-yl]pyrido[3,4-d]pyrimidin-6-yl]-methylamino]ethanol?
The canonical SMILES for 2-[[2-(1-fluorocyclobutyl)-4-[4-(2-methylphenyl)piperidin-1-yl]pyrido[3,4-d]pyrimidin-6-yl]-methylamino]ethanol is Cc1ccccc1C1CCN(c2nc(C3(F)CCC3)nc3cnc(N(C)CCO)cc23)CC1.
What is the InChIKey of 2-[[2-(1-fluorocyclobutyl)-4-[4-(2-methylphenyl)piperidin-1-yl]pyrido[3,4-d]pyrimidin-6-yl]-methylamino]ethanol?
The InChIKey is AGVHVTZQPTUBJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32FN5O/c1-18-6-3-4-7-20(18)19-8-12-32(13-9-19)24-21-16-23(31(2)14-15-33)28-17-22(21)29-25(30-24)26(27)10-5-11-26/h3-4,6-7,16-17,19,33H,5,8-15H2,1-2H3.
What are the key properties of 2-[[2-(1-fluorocyclobutyl)-4-[4-(2-methylphenyl)piperidin-1-yl]pyrido[3,4-d]pyrimidin-6-yl]-methylamino]ethanol?
2-[[2-(1-fluorocyclobutyl)-4-[4-(2-methylphenyl)piperidin-1-yl]pyrido[3,4-d]pyrimidin-6-yl]-methylamino]ethanol has a molecular weight of 449.57 g/mol, XLogP of 4.49, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(1-fluorocyclobutyl)-4-[4-(2-methylphenyl)piperidin-1-yl]pyrido[3,4-d]pyrimidin-6-yl]-methylamino]ethanol is sourced from PubChem (CID 130352366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).