5-methyl-N-[2-methyl-4-[(3R)-3-phenylpyrrolidin-1-yl]quinolin-6-yl]-1H-pyrazole-3-carboxamide

C25H25N5O — CID 90900930

IUPAC5-methyl-N-[2-methyl-4-[(3R)-3-phenylpyrrolidin-1-yl]quinolin-6-yl]-1H-pyrazole-3-carboxamide
SMILESCc1cc(N2CC[C@H](c3ccccc3)C2)c2cc(NC(=O)c3cc(C)[nH]n3)ccc2n1
InChIInChI=1S/C25H25N5O/c1-16-13-24(30-11-10-19(15-30)18-6-4-3-5-7-18)21-14-20(8-9-22(21)26-16)27-25(31)23-12-17(2)28-29-23/h3-9,12-14,19H,10-11,15H2,1-2H3,(H,27,31)(H,28,29)/t19-/m0/s1
InChIKeyMVJYVQIZKQPJJE-IBGZPJMESA-N
MW411.51 g/mol
LogP4.82
Rot. Bonds4

About 5-methyl-N-[2-methyl-4-[(3R)-3-phenylpyrrolidin-1-yl]quinolin-6-yl]-1H-pyrazole-3-carboxamide

5-methyl-N-[2-methyl-4-[(3R)-3-phenylpyrrolidin-1-yl]quinolin-6-yl]-1H-pyrazole-3-carboxamide (PubChem CID 90900930) has the molecular formula C25H25N5O and a molecular weight of 411.51 g/mol. Its IUPAC name is 5-methyl-N-[2-methyl-4-[(3R)-3-phenylpyrrolidin-1-yl]quinolin-6-yl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[2-methyl-4-[(3R)-3-phenylpyrrolidin-1-yl]quinolin-6-yl]-1H-pyrazole-3-carboxamide
PubChem CID90900930
Molecular FormulaC25H25N5O
Molecular Weight411.51 g/mol
Exact Mass411.21
IUPAC Name5-methyl-N-[2-methyl-4-[(3R)-3-phenylpyrrolidin-1-yl]quinolin-6-yl]-1H-pyrazole-3-carboxamide
SMILESCc1cc(N2CC[C@H](c3ccccc3)C2)c2cc(NC(=O)c3cc(C)[nH]n3)ccc2n1
InChIInChI=1S/C25H25N5O/c1-16-13-24(30-11-10-19(15-30)18-6-4-3-5-7-18)21-14-20(8-9-22(21)26-16)27-25(31)23-12-17(2)28-29-23/h3-9,12-14,19H,10-11,15H2,1-2H3,(H,27,31)(H,28,29)/t19-/m0/s1
InChIKeyMVJYVQIZKQPJJE-IBGZPJMESA-N
XLogP4.82
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.51
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-methyl-1,2-oxazol-5-yl)-N-[2-methyl-4-(3-phenylpyrrolidin-1-yl)quinolin-6-yl]acetamide
CID 25116573
pyrazin-2-yl N-[2-methyl-4-(3-phenylpyrrolidin-1-yl)quinolin-6-yl]carbamate
CID 130220938
2-methyl-4-(3-phenylpyrrolidin-1-yl)quinoline-6-carboxamide
CID 174599482
2-methyl-4-[(3S)-3-phenylpyrrolidin-1-yl]quinoline-6-carboxamide
CID 174599465
N-[2-methyl-4-(3-phenylpyrrolidin-1-yl)quinolin-6-yl]benzenesulfonamide;hydrochloride
CID 68776069
N-[(4-methoxyphenyl)methyl]-2-methyl-4-(3-phenylpyrrolidin-1-yl)quinolin-6-amine
CID 25116797
N-[3-chloro-2-methyl-4-(3-phenylpyrrolidin-1-yl)quinolin-6-yl]benzamide;hydrochloride
CID 142764266
5-methyl-1-[2-methyl-4-[(3S)-3-phenylpyrrolidin-1-yl]quinolin-6-yl]pyrazole-3-carboxamide
CID 172840492
5-methyl-N-[3-methyl-4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]-1H-pyrazole-3-carboxamide
CID 25265239
5-[(3-chlorobenzoyl)amino]-2-[(3S)-3-phenylpyrrolidin-1-yl]benzoic acid
CID 93070135
4-[1-(2-methyl-6-phenoxyquinolin-4-yl)pyrrolidin-3-yl]aniline
CID 175264996
5-methyl-N-(1-phenylpyrrolidin-3-yl)-1H-pyrazole-3-carboxamide
CID 110484336

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[2-methyl-4-[(3R)-3-phenylpyrrolidin-1-yl]quinolin-6-yl]-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-methyl-N-[2-methyl-4-[(3R)-3-phenylpyrrolidin-1-yl]quinolin-6-yl]-1H-pyrazole-3-carboxamide (CID 90900930) is 5-methyl-N-[2-methyl-4-[(3R)-3-phenylpyrrolidin-1-yl]quinolin-6-yl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-methyl-N-[2-methyl-4-[(3R)-3-phenylpyrrolidin-1-yl]quinolin-6-yl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-methyl-N-[2-methyl-4-[(3R)-3-phenylpyrrolidin-1-yl]quinolin-6-yl]-1H-pyrazole-3-carboxamide is Cc1cc(N2CC[C@H](c3ccccc3)C2)c2cc(NC(=O)c3cc(C)[nH]n3)ccc2n1.
What is the InChIKey of 5-methyl-N-[2-methyl-4-[(3R)-3-phenylpyrrolidin-1-yl]quinolin-6-yl]-1H-pyrazole-3-carboxamide?
The InChIKey is MVJYVQIZKQPJJE-IBGZPJMESA-N. The full InChI is InChI=1S/C25H25N5O/c1-16-13-24(30-11-10-19(15-30)18-6-4-3-5-7-18)21-14-20(8-9-22(21)26-16)27-25(31)23-12-17(2)28-29-23/h3-9,12-14,19H,10-11,15H2,1-2H3,(H,27,31)(H,28,29)/t19-/m0/s1.
What are the key properties of 5-methyl-N-[2-methyl-4-[(3R)-3-phenylpyrrolidin-1-yl]quinolin-6-yl]-1H-pyrazole-3-carboxamide?
5-methyl-N-[2-methyl-4-[(3R)-3-phenylpyrrolidin-1-yl]quinolin-6-yl]-1H-pyrazole-3-carboxamide has a molecular weight of 411.51 g/mol, XLogP of 4.82, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[2-methyl-4-[(3R)-3-phenylpyrrolidin-1-yl]quinolin-6-yl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 90900930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).