2-[1-[(4-fluorophenyl)methyl]pyrrolidin-2-yl]-N-[(2-methoxyphenyl)methyl]-4-methylpyrimidine-5-carboxamide

C25H27FN4O2 — CID 110247512

IUPAC2-[1-[(4-fluorophenyl)methyl]pyrrolidin-2-yl]-N-[(2-methoxyphenyl)methyl]-4-methylpyrimidine-5-carboxamide
SMILESCOc1ccccc1CNC(=O)c1cnc(C2CCCN2Cc2ccc(F)cc2)nc1C
InChIInChI=1S/C25H27FN4O2/c1-17-21(25(31)28-14-19-6-3-4-8-23(19)32-2)15-27-24(29-17)22-7-5-13-30(22)16-18-9-11-20(26)12-10-18/h3-4,6,8-12,15,22H,5,7,13-14,16H2,1-2H3,(H,28,31)
InChIKeyNAHMCOWSOFXRGZ-UHFFFAOYSA-N
MW434.52 g/mol
LogP4.20
Rot. Bonds7

About 2-[1-[(4-fluorophenyl)methyl]pyrrolidin-2-yl]-N-[(2-methoxyphenyl)methyl]-4-methylpyrimidine-5-carboxamide

2-[1-[(4-fluorophenyl)methyl]pyrrolidin-2-yl]-N-[(2-methoxyphenyl)methyl]-4-methylpyrimidine-5-carboxamide (PubChem CID 110247512) has the molecular formula C25H27FN4O2 and a molecular weight of 434.52 g/mol. Its IUPAC name is 2-[1-[(4-fluorophenyl)methyl]pyrrolidin-2-yl]-N-[(2-methoxyphenyl)methyl]-4-methylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-[1-[(4-fluorophenyl)methyl]pyrrolidin-2-yl]-N-[(2-methoxyphenyl)methyl]-4-methylpyrimidine-5-carboxamide
PubChem CID110247512
Molecular FormulaC25H27FN4O2
Molecular Weight434.52 g/mol
Exact Mass434.21
IUPAC Name2-[1-[(4-fluorophenyl)methyl]pyrrolidin-2-yl]-N-[(2-methoxyphenyl)methyl]-4-methylpyrimidine-5-carboxamide
SMILESCOc1ccccc1CNC(=O)c1cnc(C2CCCN2Cc2ccc(F)cc2)nc1C
InChIInChI=1S/C25H27FN4O2/c1-17-21(25(31)28-14-19-6-3-4-8-23(19)32-2)15-27-24(29-17)22-7-5-13-30(22)16-18-9-11-20(26)12-10-18/h3-4,6,8-12,15,22H,5,7,13-14,16H2,1-2H3,(H,28,31)
InChIKeyNAHMCOWSOFXRGZ-UHFFFAOYSA-N
XLogP4.20
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.52
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[1-[(4-fluorophenyl)methyl]pyrrolidin-2-yl]-N-[(2-methoxyphenyl)methyl]-4-methylpyrimidine-5-carboxamide 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

N-[(4-fluorophenyl)methyl]-2-[1-[(2-methoxyphenyl)methyl]piperidin-2-yl]-4-methylpyrimidine-5-carboxamide
CID 110247738
N-[(2-methoxyphenyl)methyl]-4-methyl-2-[1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]pyrimidine-5-carboxamide
CID 110247517
N-[(4-fluorophenyl)methyl]-2-[(2S)-1-[(4-fluorophenyl)methyl]piperidin-2-yl]-4-methylpyrimidine-5-carboxamide
CID 92639751
N-[(4-fluorophenyl)methyl]-2-[1-[(4-fluorophenyl)methyl]piperidin-2-yl]-4-methylpyrimidine-5-carboxamide
CID 110247725
2-[1-[(4-fluorophenyl)methyl]piperidin-2-yl]-N-(2-methoxyphenyl)-4-methylpyrimidine-5-carboxamide
CID 110247632
2-[1-[(4-ethoxyphenyl)methyl]pyrrolidin-2-yl]-N-[(4-fluorophenyl)methyl]-4-methylpyrimidine-5-carboxamide
CID 110247487
N-(4-fluorophenyl)-2-[1-[(4-fluorophenyl)methyl]pyrrolidin-2-yl]-4-methylpyrimidine-5-carboxamide
CID 110247458
N-[(4-fluorophenyl)methyl]-4-methyl-2-[(2S)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-2-yl]pyrimidine-5-carboxamide
CID 92639611
2-[1-(1,5-dimethylpyrazole-4-carbonyl)pyrrolidin-2-yl]-N-[(2-methoxyphenyl)methyl]-4-methylpyrimidine-5-carboxamide
CID 175659966
N-[(2-methoxyphenyl)methyl]-4-methyl-2-[(2S)-1-(1-methylimidazole-2-carbonyl)pyrrolidin-2-yl]pyrimidine-5-carboxamide
CID 95805899
N-benzyl-2-[1-[(4-ethoxyphenyl)methyl]piperidin-2-yl]-4-methylpyrimidine-5-carboxamide
CID 175660224
N-[(2-methoxyphenyl)methyl]-4-methyl-2-[(2R)-pyrrolidin-2-yl]pyrimidine-5-carboxamide
CID 125004401

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-fluorophenyl)methyl]pyrrolidin-2-yl]-N-[(2-methoxyphenyl)methyl]-4-methylpyrimidine-5-carboxamide?
The IUPAC name of 2-[1-[(4-fluorophenyl)methyl]pyrrolidin-2-yl]-N-[(2-methoxyphenyl)methyl]-4-methylpyrimidine-5-carboxamide (CID 110247512) is 2-[1-[(4-fluorophenyl)methyl]pyrrolidin-2-yl]-N-[(2-methoxyphenyl)methyl]-4-methylpyrimidine-5-carboxamide.
What is the SMILES notation for 2-[1-[(4-fluorophenyl)methyl]pyrrolidin-2-yl]-N-[(2-methoxyphenyl)methyl]-4-methylpyrimidine-5-carboxamide?
The canonical SMILES for 2-[1-[(4-fluorophenyl)methyl]pyrrolidin-2-yl]-N-[(2-methoxyphenyl)methyl]-4-methylpyrimidine-5-carboxamide is COc1ccccc1CNC(=O)c1cnc(C2CCCN2Cc2ccc(F)cc2)nc1C.
What is the InChIKey of 2-[1-[(4-fluorophenyl)methyl]pyrrolidin-2-yl]-N-[(2-methoxyphenyl)methyl]-4-methylpyrimidine-5-carboxamide?
The InChIKey is NAHMCOWSOFXRGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27FN4O2/c1-17-21(25(31)28-14-19-6-3-4-8-23(19)32-2)15-27-24(29-17)22-7-5-13-30(22)16-18-9-11-20(26)12-10-18/h3-4,6,8-12,15,22H,5,7,13-14,16H2,1-2H3,(H,28,31).
What are the key properties of 2-[1-[(4-fluorophenyl)methyl]pyrrolidin-2-yl]-N-[(2-methoxyphenyl)methyl]-4-methylpyrimidine-5-carboxamide?
2-[1-[(4-fluorophenyl)methyl]pyrrolidin-2-yl]-N-[(2-methoxyphenyl)methyl]-4-methylpyrimidine-5-carboxamide has a molecular weight of 434.52 g/mol, XLogP of 4.20, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-fluorophenyl)methyl]pyrrolidin-2-yl]-N-[(2-methoxyphenyl)methyl]-4-methylpyrimidine-5-carboxamide is sourced from PubChem (CID 110247512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).