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

C25H25N5O — CID 172840492

IUPAC5-methyl-1-[2-methyl-4-[(3S)-3-phenylpyrrolidin-1-yl]quinolin-6-yl]pyrazole-3-carboxamide
SMILESCc1cc(N2CC[C@@H](c3ccccc3)C2)c2cc(-n3nc(C(N)=O)cc3C)ccc2n1
InChIInChI=1S/C25H25N5O/c1-16-12-24(29-11-10-19(15-29)18-6-4-3-5-7-18)21-14-20(8-9-22(21)27-16)30-17(2)13-23(28-30)25(26)31/h3-9,12-14,19H,10-11,15H2,1-2H3,(H2,26,31)/t19-/m1/s1
InChIKeyWSNBDNLKCXFBPH-LJQANCHMSA-N
MW411.51 g/mol
LogP4.13
Rot. Bonds4

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

5-methyl-1-[2-methyl-4-[(3S)-3-phenylpyrrolidin-1-yl]quinolin-6-yl]pyrazole-3-carboxamide (PubChem CID 172840492) has the molecular formula C25H25N5O and a molecular weight of 411.51 g/mol. Its IUPAC name is 5-methyl-1-[2-methyl-4-[(3S)-3-phenylpyrrolidin-1-yl]quinolin-6-yl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-methyl-1-[2-methyl-4-[(3S)-3-phenylpyrrolidin-1-yl]quinolin-6-yl]pyrazole-3-carboxamide
PubChem CID172840492
Molecular FormulaC25H25N5O
Molecular Weight411.51 g/mol
Exact Mass411.21
IUPAC Name5-methyl-1-[2-methyl-4-[(3S)-3-phenylpyrrolidin-1-yl]quinolin-6-yl]pyrazole-3-carboxamide
SMILESCc1cc(N2CC[C@@H](c3ccccc3)C2)c2cc(-n3nc(C(N)=O)cc3C)ccc2n1
InChIInChI=1S/C25H25N5O/c1-16-12-24(29-11-10-19(15-29)18-6-4-3-5-7-18)21-14-20(8-9-22(21)27-16)30-17(2)13-23(28-30)25(26)31/h3-9,12-14,19H,10-11,15H2,1-2H3,(H2,26,31)/t19-/m1/s1
InChIKeyWSNBDNLKCXFBPH-LJQANCHMSA-N
XLogP4.13
TPSA77.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.51
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-[2-methyl-4-[(3S)-3-phenylpyrrolidin-1-yl]quinolin-6-yl]pyrazole-3-carboxamide?
The IUPAC name of 5-methyl-1-[2-methyl-4-[(3S)-3-phenylpyrrolidin-1-yl]quinolin-6-yl]pyrazole-3-carboxamide (CID 172840492) is 5-methyl-1-[2-methyl-4-[(3S)-3-phenylpyrrolidin-1-yl]quinolin-6-yl]pyrazole-3-carboxamide.
What is the SMILES notation for 5-methyl-1-[2-methyl-4-[(3S)-3-phenylpyrrolidin-1-yl]quinolin-6-yl]pyrazole-3-carboxamide?
The canonical SMILES for 5-methyl-1-[2-methyl-4-[(3S)-3-phenylpyrrolidin-1-yl]quinolin-6-yl]pyrazole-3-carboxamide is Cc1cc(N2CC[C@@H](c3ccccc3)C2)c2cc(-n3nc(C(N)=O)cc3C)ccc2n1.
What is the InChIKey of 5-methyl-1-[2-methyl-4-[(3S)-3-phenylpyrrolidin-1-yl]quinolin-6-yl]pyrazole-3-carboxamide?
The InChIKey is WSNBDNLKCXFBPH-LJQANCHMSA-N. The full InChI is InChI=1S/C25H25N5O/c1-16-12-24(29-11-10-19(15-29)18-6-4-3-5-7-18)21-14-20(8-9-22(21)27-16)30-17(2)13-23(28-30)25(26)31/h3-9,12-14,19H,10-11,15H2,1-2H3,(H2,26,31)/t19-/m1/s1.
What are the key properties of 5-methyl-1-[2-methyl-4-[(3S)-3-phenylpyrrolidin-1-yl]quinolin-6-yl]pyrazole-3-carboxamide?
5-methyl-1-[2-methyl-4-[(3S)-3-phenylpyrrolidin-1-yl]quinolin-6-yl]pyrazole-3-carboxamide has a molecular weight of 411.51 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-[2-methyl-4-[(3S)-3-phenylpyrrolidin-1-yl]quinolin-6-yl]pyrazole-3-carboxamide is sourced from PubChem (CID 172840492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).