8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-7-(3-methyl-2-propan-2-ylphenyl)pyrido[4,3-d]pyrimidine

C25H29FN4O — CID 175934626

IUPAC8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-7-(3-methyl-2-propan-2-ylphenyl)pyrido[4,3-d]pyrimidine
SMILESCc1cccc(-c2ncc3cnc(OCC45CCCN4CCC5)nc3c2F)c1C(C)C
InChIInChI=1S/C25H29FN4O/c1-16(2)20-17(3)7-4-8-19(20)23-21(26)22-18(13-27-23)14-28-24(29-22)31-15-25-9-5-11-30(25)12-6-10-25/h4,7-8,13-14,16H,5-6,9-12,15H2,1-3H3
InChIKeyFQHVEBICKNZKTQ-UHFFFAOYSA-N
MW420.53 g/mol
LogP5.27
Rot. Bonds5

About 8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-7-(3-methyl-2-propan-2-ylphenyl)pyrido[4,3-d]pyrimidine

8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-7-(3-methyl-2-propan-2-ylphenyl)pyrido[4,3-d]pyrimidine (PubChem CID 175934626) has the molecular formula C25H29FN4O and a molecular weight of 420.53 g/mol. Its IUPAC name is 8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-7-(3-methyl-2-propan-2-ylphenyl)pyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-7-(3-methyl-2-propan-2-ylphenyl)pyrido[4,3-d]pyrimidine
PubChem CID175934626
Molecular FormulaC25H29FN4O
Molecular Weight420.53 g/mol
Exact Mass420.23
IUPAC Name8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-7-(3-methyl-2-propan-2-ylphenyl)pyrido[4,3-d]pyrimidine
SMILESCc1cccc(-c2ncc3cnc(OCC45CCCN4CCC5)nc3c2F)c1C(C)C
InChIInChI=1S/C25H29FN4O/c1-16(2)20-17(3)7-4-8-19(20)23-21(26)22-18(13-27-23)14-28-24(29-22)31-15-25-9-5-11-30(25)12-6-10-25/h4,7-8,13-14,16H,5-6,9-12,15H2,1-3H3
InChIKeyFQHVEBICKNZKTQ-UHFFFAOYSA-N
XLogP5.27
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.53
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-7-(3-methyl-2-propan-2-ylphenyl)pyrido[4,3-d]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-(2,3-dimethylphenyl)-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)pyrido[4,3-d]pyrimidine
CID 175934612
7-(8-chloronaphthalen-1-yl)-8-fluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]pyrido[4,3-d]pyrimidine
CID 176596981
4-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-7-[2-[(1S,2R)-2-methylcyclopropyl]phenyl]pyrido[4,3-d]pyrimidine
CID 167609826
3-[8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-7-(2-methylphenyl)pyrido[4,3-d]pyrimidin-4-yl]-3,8-diazabicyclo[3.2.1]octane-8-carboxylic acid
CID 175889352
7-(7,8-difluoronaphthalen-1-yl)-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-4-(2,2,2-trifluoroethoxy)pyrido[4,3-d]pyrimidine
CID 171828522
4-(3-azabicyclo[3.2.1]octan-3-yl)-7-(8-cyclopropylnaphthalen-1-yl)-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)pyrido[4,3-d]pyrimidine
CID 167576687
N-cyclobutyl-8-fluoro-7-(8-fluoronaphthalen-1-yl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)pyrido[4,3-d]pyrimidin-4-amine
CID 167120051
tert-butyl (1R,5S)-3-[8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-7-(2-methoxy-3-methylphenyl)pyrido[4,3-d]pyrimidin-4-yl]-3,8-diazabicyclo[3.2.1]octane-8-carboxylate
CID 164521849
7-[8-(difluoromethyl)naphthalen-1-yl]-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-4-(2,2,2-trifluoroethoxy)pyrido[4,3-d]pyrimidine
CID 164534301
7-(3-chloro-2-propan-2-ylphenyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]-8-fluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]pyrido[4,3-d]pyrimidin-4-amine
CID 169305607
4-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-7-(2-methoxyphenyl)pyrido[4,3-d]pyrimidine
CID 167596151
CID 164534740
CID 164534740

Frequently Asked Questions

What is the IUPAC name of 8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-7-(3-methyl-2-propan-2-ylphenyl)pyrido[4,3-d]pyrimidine?
The IUPAC name of 8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-7-(3-methyl-2-propan-2-ylphenyl)pyrido[4,3-d]pyrimidine (CID 175934626) is 8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-7-(3-methyl-2-propan-2-ylphenyl)pyrido[4,3-d]pyrimidine.
What is the SMILES notation for 8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-7-(3-methyl-2-propan-2-ylphenyl)pyrido[4,3-d]pyrimidine?
The canonical SMILES for 8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-7-(3-methyl-2-propan-2-ylphenyl)pyrido[4,3-d]pyrimidine is Cc1cccc(-c2ncc3cnc(OCC45CCCN4CCC5)nc3c2F)c1C(C)C.
What is the InChIKey of 8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-7-(3-methyl-2-propan-2-ylphenyl)pyrido[4,3-d]pyrimidine?
The InChIKey is FQHVEBICKNZKTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29FN4O/c1-16(2)20-17(3)7-4-8-19(20)23-21(26)22-18(13-27-23)14-28-24(29-22)31-15-25-9-5-11-30(25)12-6-10-25/h4,7-8,13-14,16H,5-6,9-12,15H2,1-3H3.
What are the key properties of 8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-7-(3-methyl-2-propan-2-ylphenyl)pyrido[4,3-d]pyrimidine?
8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-7-(3-methyl-2-propan-2-ylphenyl)pyrido[4,3-d]pyrimidine has a molecular weight of 420.53 g/mol, XLogP of 5.27, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-7-(3-methyl-2-propan-2-ylphenyl)pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 175934626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).