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

C24H28N6O3 — CID 175659966

IUPAC2-[1-(1,5-dimethylpyrazole-4-carbonyl)pyrrolidin-2-yl]-N-[(2-methoxyphenyl)methyl]-4-methylpyrimidine-5-carboxamide
SMILESCOc1ccccc1CNC(=O)c1cnc(C2CCCN2C(=O)c2cnn(C)c2C)nc1C
InChIInChI=1S/C24H28N6O3/c1-15-18(23(31)26-12-17-8-5-6-10-21(17)33-4)13-25-22(28-15)20-9-7-11-30(20)24(32)19-14-27-29(3)16(19)2/h5-6,8,10,13-14,20H,7,9,11-12H2,1-4H3,(H,26,31)
InChIKeyCAQJQUSTMWQVGA-UHFFFAOYSA-N
MW448.53 g/mol
LogP2.74
Rot. Bonds6

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

2-[1-(1,5-dimethylpyrazole-4-carbonyl)pyrrolidin-2-yl]-N-[(2-methoxyphenyl)methyl]-4-methylpyrimidine-5-carboxamide (PubChem CID 175659966) has the molecular formula C24H28N6O3 and a molecular weight of 448.53 g/mol. Its IUPAC name is 2-[1-(1,5-dimethylpyrazole-4-carbonyl)pyrrolidin-2-yl]-N-[(2-methoxyphenyl)methyl]-4-methylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-[1-(1,5-dimethylpyrazole-4-carbonyl)pyrrolidin-2-yl]-N-[(2-methoxyphenyl)methyl]-4-methylpyrimidine-5-carboxamide
PubChem CID175659966
Molecular FormulaC24H28N6O3
Molecular Weight448.53 g/mol
Exact Mass448.22
IUPAC Name2-[1-(1,5-dimethylpyrazole-4-carbonyl)pyrrolidin-2-yl]-N-[(2-methoxyphenyl)methyl]-4-methylpyrimidine-5-carboxamide
SMILESCOc1ccccc1CNC(=O)c1cnc(C2CCCN2C(=O)c2cnn(C)c2C)nc1C
InChIInChI=1S/C24H28N6O3/c1-15-18(23(31)26-12-17-8-5-6-10-21(17)33-4)13-25-22(28-15)20-9-7-11-30(20)24(32)19-14-27-29(3)16(19)2/h5-6,8,10,13-14,20H,7,9,11-12H2,1-4H3,(H,26,31)
InChIKeyCAQJQUSTMWQVGA-UHFFFAOYSA-N
XLogP2.74
TPSA102.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.53
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(2-methoxyphenyl)methyl]-4-methyl-2-[(2S)-1-(1-methylimidazole-2-carbonyl)pyrrolidin-2-yl]pyrimidine-5-carboxamide
CID 95805899
N-[(2-methoxyphenyl)methyl]-4-methyl-2-[1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]pyrimidine-5-carboxamide
CID 110247517
2-[1-[(4-fluorophenyl)methyl]pyrrolidin-2-yl]-N-[(2-methoxyphenyl)methyl]-4-methylpyrimidine-5-carboxamide
CID 110247512
N-[(2-methoxyphenyl)methyl]-4-methyl-2-[(2R)-pyrrolidin-2-yl]pyrimidine-5-carboxamide
CID 125004401
N-[(4-fluorophenyl)methyl]-2-[1-[(2-methoxyphenyl)methyl]piperidin-2-yl]-4-methylpyrimidine-5-carboxamide
CID 110247738
N-(4-fluorophenyl)-2-[(2S)-1-[2-(2-methoxyphenyl)acetyl]pyrrolidin-2-yl]-4-methylpyrimidine-5-carboxamide
CID 92637215
2-[1-(3-amino-3-oxopropyl)piperidin-4-yl]-N-[(2-methoxyphenyl)methyl]-4-methylpyrimidine-5-carboxamide
CID 92640390
N-[(2-methoxyphenyl)methyl]-4-methyl-2-[1-(2-methylpropyl)piperidin-4-yl]pyrimidine-5-carboxamide
CID 92640366
2-(1-benzoylpiperidin-2-yl)-N-benzyl-4-methylpyrimidine-5-carboxamide
CID 110247749
N-benzyl-4-methyl-2-[(2S)-1-(2-phenylacetyl)piperidin-2-yl]pyrimidine-5-carboxamide
CID 92639623
N-benzyl-2-[(2R)-1-[2-(4-fluorophenoxy)acetyl]pyrrolidin-2-yl]-4-methylpyrimidine-5-carboxamide
CID 92637069
N-(2-methoxyphenyl)-4-methyl-2-[1-(2-pyrazol-1-ylacetyl)pyrrolidin-2-yl]pyrimidine-5-carboxamide
CID 110247400

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1,5-dimethylpyrazole-4-carbonyl)pyrrolidin-2-yl]-N-[(2-methoxyphenyl)methyl]-4-methylpyrimidine-5-carboxamide?
The IUPAC name of 2-[1-(1,5-dimethylpyrazole-4-carbonyl)pyrrolidin-2-yl]-N-[(2-methoxyphenyl)methyl]-4-methylpyrimidine-5-carboxamide (CID 175659966) is 2-[1-(1,5-dimethylpyrazole-4-carbonyl)pyrrolidin-2-yl]-N-[(2-methoxyphenyl)methyl]-4-methylpyrimidine-5-carboxamide.
What is the SMILES notation for 2-[1-(1,5-dimethylpyrazole-4-carbonyl)pyrrolidin-2-yl]-N-[(2-methoxyphenyl)methyl]-4-methylpyrimidine-5-carboxamide?
The canonical SMILES for 2-[1-(1,5-dimethylpyrazole-4-carbonyl)pyrrolidin-2-yl]-N-[(2-methoxyphenyl)methyl]-4-methylpyrimidine-5-carboxamide is COc1ccccc1CNC(=O)c1cnc(C2CCCN2C(=O)c2cnn(C)c2C)nc1C.
What is the InChIKey of 2-[1-(1,5-dimethylpyrazole-4-carbonyl)pyrrolidin-2-yl]-N-[(2-methoxyphenyl)methyl]-4-methylpyrimidine-5-carboxamide?
The InChIKey is CAQJQUSTMWQVGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6O3/c1-15-18(23(31)26-12-17-8-5-6-10-21(17)33-4)13-25-22(28-15)20-9-7-11-30(20)24(32)19-14-27-29(3)16(19)2/h5-6,8,10,13-14,20H,7,9,11-12H2,1-4H3,(H,26,31).
What are the key properties of 2-[1-(1,5-dimethylpyrazole-4-carbonyl)pyrrolidin-2-yl]-N-[(2-methoxyphenyl)methyl]-4-methylpyrimidine-5-carboxamide?
2-[1-(1,5-dimethylpyrazole-4-carbonyl)pyrrolidin-2-yl]-N-[(2-methoxyphenyl)methyl]-4-methylpyrimidine-5-carboxamide has a molecular weight of 448.53 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1,5-dimethylpyrazole-4-carbonyl)pyrrolidin-2-yl]-N-[(2-methoxyphenyl)methyl]-4-methylpyrimidine-5-carboxamide is sourced from PubChem (CID 175659966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).