N-(cyclopropylmethyl)-3-[(2R,4R)-4-hydroxy-1-[3-methoxy-4-(1H-pyrazol-4-yl)benzoyl]-4-methylpyrrolidin-2-yl]benzamide

C27H30N4O4 — CID 118878915

IUPACN-(cyclopropylmethyl)-3-[(2R,4R)-4-hydroxy-1-[3-methoxy-4-(1H-pyrazol-4-yl)benzoyl]-4-methylpyrrolidin-2-yl]benzamide
SMILESCOc1cc(C(=O)N2C[C@](C)(O)C[C@@H]2c2cccc(C(=O)NCC3CC3)c2)ccc1-c1cn[nH]c1
InChIInChI=1S/C27H30N4O4/c1-27(34)12-23(18-4-3-5-19(10-18)25(32)28-13-17-6-7-17)31(16-27)26(33)20-8-9-22(24(11-20)35-2)21-14-29-30-15-21/h3-5,8-11,14-15,17,23,34H,6-7,12-13,16H2,1-2H3,(H,28,32)(H,29,30)/t23-,27-/m1/s1
InChIKeyAUZCFLDSZLCQOT-YIXXDRMTSA-N
MW474.56 g/mol
LogP3.56
Rot. Bonds7

About N-(cyclopropylmethyl)-3-[(2R,4R)-4-hydroxy-1-[3-methoxy-4-(1H-pyrazol-4-yl)benzoyl]-4-methylpyrrolidin-2-yl]benzamide

N-(cyclopropylmethyl)-3-[(2R,4R)-4-hydroxy-1-[3-methoxy-4-(1H-pyrazol-4-yl)benzoyl]-4-methylpyrrolidin-2-yl]benzamide (PubChem CID 118878915) has the molecular formula C27H30N4O4 and a molecular weight of 474.56 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-3-[(2R,4R)-4-hydroxy-1-[3-methoxy-4-(1H-pyrazol-4-yl)benzoyl]-4-methylpyrrolidin-2-yl]benzamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-3-[(2R,4R)-4-hydroxy-1-[3-methoxy-4-(1H-pyrazol-4-yl)benzoyl]-4-methylpyrrolidin-2-yl]benzamide
PubChem CID118878915
Molecular FormulaC27H30N4O4
Molecular Weight474.56 g/mol
Exact Mass474.23
IUPAC NameN-(cyclopropylmethyl)-3-[(2R,4R)-4-hydroxy-1-[3-methoxy-4-(1H-pyrazol-4-yl)benzoyl]-4-methylpyrrolidin-2-yl]benzamide
SMILESCOc1cc(C(=O)N2C[C@](C)(O)C[C@@H]2c2cccc(C(=O)NCC3CC3)c2)ccc1-c1cn[nH]c1
InChIInChI=1S/C27H30N4O4/c1-27(34)12-23(18-4-3-5-19(10-18)25(32)28-13-17-6-7-17)31(16-27)26(33)20-8-9-22(24(11-20)35-2)21-14-29-30-15-21/h3-5,8-11,14-15,17,23,34H,6-7,12-13,16H2,1-2H3,(H,28,32)(H,29,30)/t23-,27-/m1/s1
InChIKeyAUZCFLDSZLCQOT-YIXXDRMTSA-N
XLogP3.56
TPSA107.55 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.56
LogP ≤ 53.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-[(2R)-4-hydroxy-1-[3-methoxy-4-(1H-pyrazol-4-yl)benzoyl]pyrrolidin-2-yl]benzamide
CID 118878972
3-[(2R)-1-[3-methoxy-4-(1H-pyrazol-4-yl)benzoyl]pyrrolidin-2-yl]benzoic acid
CID 118879009
3-[4-hydroxy-1-[3-methoxy-4-(1H-pyrazol-4-yl)benzoyl]pyrrolidin-2-yl]-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide
CID 145021792
N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-3-[(2R)-4-hydroxy-1-[3-methoxy-4-(1H-pyrazol-4-yl)benzoyl]pyrrolidin-2-yl]benzamide
CID 140802916
3-[1-(4-bromo-3-methoxybenzoyl)-4-oxopyrrolidin-2-yl]-N-(cyclopropylmethyl)benzamide
CID 118878840
3-[(2R)-1-(4-bromo-3-methoxybenzoyl)-4-oxopyrrolidin-2-yl]-N-(cyclopropylmethyl)benzamide
CID 118878842
3-[(2R)-1-(4-bromo-3-methoxybenzoyl)-4-methylpyrrolidin-2-yl]-N-(cyclopropylmethyl)benzamide
CID 145021791
N-[(2,6-difluorophenyl)methyl]-3-methoxy-4-(1H-pyrazol-4-yl)benzamide
CID 118662908
[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-[(2R)-2-(3-methylsulfonylphenyl)pyrrolidin-1-yl]methanone
CID 118878837
[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-[2-[3-(1H-pyrazol-5-yl)phenyl]pyrrolidin-1-yl]methanone
CID 118878845
[2-[3-(furan-3-yl)phenyl]pyrrolidin-1-yl]-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]methanone
CID 118878965
[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-[2-[3-[(1-methylpiperidin-4-yl)amino]phenyl]pyrrolidin-1-yl]methanone
CID 118878838

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-3-[(2R,4R)-4-hydroxy-1-[3-methoxy-4-(1H-pyrazol-4-yl)benzoyl]-4-methylpyrrolidin-2-yl]benzamide?
The IUPAC name of N-(cyclopropylmethyl)-3-[(2R,4R)-4-hydroxy-1-[3-methoxy-4-(1H-pyrazol-4-yl)benzoyl]-4-methylpyrrolidin-2-yl]benzamide (CID 118878915) is N-(cyclopropylmethyl)-3-[(2R,4R)-4-hydroxy-1-[3-methoxy-4-(1H-pyrazol-4-yl)benzoyl]-4-methylpyrrolidin-2-yl]benzamide.
What is the SMILES notation for N-(cyclopropylmethyl)-3-[(2R,4R)-4-hydroxy-1-[3-methoxy-4-(1H-pyrazol-4-yl)benzoyl]-4-methylpyrrolidin-2-yl]benzamide?
The canonical SMILES for N-(cyclopropylmethyl)-3-[(2R,4R)-4-hydroxy-1-[3-methoxy-4-(1H-pyrazol-4-yl)benzoyl]-4-methylpyrrolidin-2-yl]benzamide is COc1cc(C(=O)N2C[C@](C)(O)C[C@@H]2c2cccc(C(=O)NCC3CC3)c2)ccc1-c1cn[nH]c1.
What is the InChIKey of N-(cyclopropylmethyl)-3-[(2R,4R)-4-hydroxy-1-[3-methoxy-4-(1H-pyrazol-4-yl)benzoyl]-4-methylpyrrolidin-2-yl]benzamide?
The InChIKey is AUZCFLDSZLCQOT-YIXXDRMTSA-N. The full InChI is InChI=1S/C27H30N4O4/c1-27(34)12-23(18-4-3-5-19(10-18)25(32)28-13-17-6-7-17)31(16-27)26(33)20-8-9-22(24(11-20)35-2)21-14-29-30-15-21/h3-5,8-11,14-15,17,23,34H,6-7,12-13,16H2,1-2H3,(H,28,32)(H,29,30)/t23-,27-/m1/s1.
What are the key properties of N-(cyclopropylmethyl)-3-[(2R,4R)-4-hydroxy-1-[3-methoxy-4-(1H-pyrazol-4-yl)benzoyl]-4-methylpyrrolidin-2-yl]benzamide?
N-(cyclopropylmethyl)-3-[(2R,4R)-4-hydroxy-1-[3-methoxy-4-(1H-pyrazol-4-yl)benzoyl]-4-methylpyrrolidin-2-yl]benzamide has a molecular weight of 474.56 g/mol, XLogP of 3.56, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-3-[(2R,4R)-4-hydroxy-1-[3-methoxy-4-(1H-pyrazol-4-yl)benzoyl]-4-methylpyrrolidin-2-yl]benzamide is sourced from PubChem (CID 118878915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).