2-(1-fluorocyclopropyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]-6-pyrrolidin-1-ylpyrido[3,4-d]pyrimidine

C26H30FN5O — CID 144986231

IUPAC2-(1-fluorocyclopropyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]-6-pyrrolidin-1-ylpyrido[3,4-d]pyrimidine
SMILESCOc1ccccc1C1CCN(c2nc(C3(F)CC3)nc3cnc(N4CCCC4)cc23)CC1
InChIInChI=1S/C26H30FN5O/c1-33-22-7-3-2-6-19(22)18-8-14-32(15-9-18)24-20-16-23(31-12-4-5-13-31)28-17-21(20)29-25(30-24)26(27)10-11-26/h2-3,6-7,16-18H,4-5,8-15H2,1H3
InChIKeyGYCWOSCFQYSIMJ-UHFFFAOYSA-N
MW447.56 g/mol
LogP4.98
Rot. Bonds5

About 2-(1-fluorocyclopropyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]-6-pyrrolidin-1-ylpyrido[3,4-d]pyrimidine

2-(1-fluorocyclopropyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]-6-pyrrolidin-1-ylpyrido[3,4-d]pyrimidine (PubChem CID 144986231) has the molecular formula C26H30FN5O and a molecular weight of 447.56 g/mol. Its IUPAC name is 2-(1-fluorocyclopropyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]-6-pyrrolidin-1-ylpyrido[3,4-d]pyrimidine.

Molecular Properties

Compound Name2-(1-fluorocyclopropyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]-6-pyrrolidin-1-ylpyrido[3,4-d]pyrimidine
PubChem CID144986231
Molecular FormulaC26H30FN5O
Molecular Weight447.56 g/mol
Exact Mass447.24
IUPAC Name2-(1-fluorocyclopropyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]-6-pyrrolidin-1-ylpyrido[3,4-d]pyrimidine
SMILESCOc1ccccc1C1CCN(c2nc(C3(F)CC3)nc3cnc(N4CCCC4)cc23)CC1
InChIInChI=1S/C26H30FN5O/c1-33-22-7-3-2-6-19(22)18-8-14-32(15-9-18)24-20-16-23(31-12-4-5-13-31)28-17-21(20)29-25(30-24)26(27)10-11-26/h2-3,6-7,16-18H,4-5,8-15H2,1H3
InChIKeyGYCWOSCFQYSIMJ-UHFFFAOYSA-N
XLogP4.98
TPSA54.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.56
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(3R)-1-[2-(1-fluorocyclopropyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]pyrrolidin-3-ol
CID 130339637
(3R)-1-[2-(1-fluorocyclobutyl)-4-[4-(2-methylphenyl)piperidin-1-yl]pyrido[3,4-d]pyrimidin-6-yl]pyrrolidin-3-ol
CID 130352376
[1-[2-(1-fluorocyclopropyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]pyrrolidin-3-yl]methanol
CID 144986208
2-[[2-(1-fluorocyclopropyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]methylamino]ethanol
CID 118610453
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-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-6-pyrrolidin-1-ylquinazoline;ethane
CID 144986165
(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
(3R)-1-[8-chloro-2-(1-fluorocyclobutyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]pyrrolidin-3-ol
CID 118617808
ethane;4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-N-(2-morpholin-4-ylethyl)-2-[1-(trifluoromethyl)cyclopentyl]quinazolin-6-amine
CID 144986109
2-[[2-(1-fluorocyclobutyl)-4-[4-(2-methylphenyl)piperidin-1-yl]pyrido[3,4-d]pyrimidin-6-yl]-methylamino]ethanol
CID 130352366
3-fluoro-2-[4-(2-methoxyphenyl)piperidin-1-yl]pyridine
CID 171914914
2-[[2-(1-fluorocyclopropyl)-4-[4-(2-methoxy-3-pyridinyl)piperidin-1-yl]quinazolin-6-yl]-methylamino]ethanol
CID 118617648

Frequently Asked Questions

What is the IUPAC name of 2-(1-fluorocyclopropyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]-6-pyrrolidin-1-ylpyrido[3,4-d]pyrimidine?
The IUPAC name of 2-(1-fluorocyclopropyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]-6-pyrrolidin-1-ylpyrido[3,4-d]pyrimidine (CID 144986231) is 2-(1-fluorocyclopropyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]-6-pyrrolidin-1-ylpyrido[3,4-d]pyrimidine.
What is the SMILES notation for 2-(1-fluorocyclopropyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]-6-pyrrolidin-1-ylpyrido[3,4-d]pyrimidine?
The canonical SMILES for 2-(1-fluorocyclopropyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]-6-pyrrolidin-1-ylpyrido[3,4-d]pyrimidine is COc1ccccc1C1CCN(c2nc(C3(F)CC3)nc3cnc(N4CCCC4)cc23)CC1.
What is the InChIKey of 2-(1-fluorocyclopropyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]-6-pyrrolidin-1-ylpyrido[3,4-d]pyrimidine?
The InChIKey is GYCWOSCFQYSIMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30FN5O/c1-33-22-7-3-2-6-19(22)18-8-14-32(15-9-18)24-20-16-23(31-12-4-5-13-31)28-17-21(20)29-25(30-24)26(27)10-11-26/h2-3,6-7,16-18H,4-5,8-15H2,1H3.
What are the key properties of 2-(1-fluorocyclopropyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]-6-pyrrolidin-1-ylpyrido[3,4-d]pyrimidine?
2-(1-fluorocyclopropyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]-6-pyrrolidin-1-ylpyrido[3,4-d]pyrimidine has a molecular weight of 447.56 g/mol, XLogP of 4.98, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-fluorocyclopropyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]-6-pyrrolidin-1-ylpyrido[3,4-d]pyrimidine is sourced from PubChem (CID 144986231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).