2-[(3S)-1-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]pyrrolidin-3-yl]-N-propan-2-ylquinoline-4-carboxamide

C26H35N5O — CID 92638819

IUPAC2-[(3S)-1-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]pyrrolidin-3-yl]-N-propan-2-ylquinoline-4-carboxamide
SMILESCc1nn(C(C)C)c(C)c1CN1CC[C@H](c2cc(C(=O)NC(C)C)c3ccccc3n2)C1
InChIInChI=1S/C26H35N5O/c1-16(2)27-26(32)22-13-25(28-24-10-8-7-9-21(22)24)20-11-12-30(14-20)15-23-18(5)29-31(17(3)4)19(23)6/h7-10,13,16-17,20H,11-12,14-15H2,1-6H3,(H,27,32)/t20-/m0/s1
InChIKeyLGUXFZCFSXMHDW-FQEVSTJZSA-N
MW433.60 g/mol
LogP4.76
Rot. Bonds6

About 2-[(3S)-1-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]pyrrolidin-3-yl]-N-propan-2-ylquinoline-4-carboxamide

2-[(3S)-1-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]pyrrolidin-3-yl]-N-propan-2-ylquinoline-4-carboxamide (PubChem CID 92638819) has the molecular formula C26H35N5O and a molecular weight of 433.60 g/mol. Its IUPAC name is 2-[(3S)-1-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]pyrrolidin-3-yl]-N-propan-2-ylquinoline-4-carboxamide.

Molecular Properties

Compound Name2-[(3S)-1-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]pyrrolidin-3-yl]-N-propan-2-ylquinoline-4-carboxamide
PubChem CID92638819
Molecular FormulaC26H35N5O
Molecular Weight433.60 g/mol
Exact Mass433.28
IUPAC Name2-[(3S)-1-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]pyrrolidin-3-yl]-N-propan-2-ylquinoline-4-carboxamide
SMILESCc1nn(C(C)C)c(C)c1CN1CC[C@H](c2cc(C(=O)NC(C)C)c3ccccc3n2)C1
InChIInChI=1S/C26H35N5O/c1-16(2)27-26(32)22-13-25(28-24-10-8-7-9-21(22)24)20-11-12-30(14-20)15-23-18(5)29-31(17(3)4)19(23)6/h7-10,13,16-17,20H,11-12,14-15H2,1-6H3,(H,27,32)/t20-/m0/s1
InChIKeyLGUXFZCFSXMHDW-FQEVSTJZSA-N
XLogP4.76
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.60
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-propan-2-yl-2-[(3R)-1-[(2-propan-2-ylpyrimidin-5-yl)methyl]pyrrolidin-3-yl]quinoline-4-carboxamide
CID 92638872
N-propan-2-yl-2-[1-(quinolin-6-ylmethyl)pyrrolidin-3-yl]quinoline-4-carboxamide
CID 110251614
2-[(3S)-1-[3-(4-methylpiperidin-1-yl)propanoyl]pyrrolidin-3-yl]-N-propan-2-ylquinoline-4-carboxamide
CID 92638645
2-cyclopropyl-N-[(2R)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]quinoline-4-carboxamide
CID 92626066
2-[(2R)-4-[(1,3-dimethylpyrazol-4-yl)methyl]morpholin-2-yl]-N-propan-2-ylquinoline-4-carboxamide
CID 92638417
2-[(2R)-4-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]morpholin-2-yl]-N-(2-methylpropyl)quinoline-4-carboxamide
CID 92639058
2-[4-[2-(diethylamino)-2-oxoethyl]morpholin-2-yl]-N-propan-2-ylquinoline-4-carboxamide
CID 155983035
N-(2-methoxyethyl)-2-[(3R)-1-(2-methylpropanoyl)pyrrolidin-3-yl]quinoline-4-carboxamide
CID 92638776
N-(2-methylpropyl)-2-[(3R)-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-3-yl]quinoline-4-carboxamide
CID 92639170
2-[(2S)-4-(cyclopentanecarbonyl)morpholin-2-yl]-N-propan-2-ylquinoline-4-carboxamide
CID 95813013
2-[(2S)-4-(3-phenylpropanoyl)morpholin-2-yl]-N-propan-2-ylquinoline-4-carboxamide
CID 95812979
2-[(3R)-1-[2-[methyl(pyridin-2-ylmethyl)amino]acetyl]pyrrolidin-3-yl]-N-propan-2-ylquinoline-4-carboxamide
CID 92637740

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-1-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]pyrrolidin-3-yl]-N-propan-2-ylquinoline-4-carboxamide?
The IUPAC name of 2-[(3S)-1-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]pyrrolidin-3-yl]-N-propan-2-ylquinoline-4-carboxamide (CID 92638819) is 2-[(3S)-1-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]pyrrolidin-3-yl]-N-propan-2-ylquinoline-4-carboxamide.
What is the SMILES notation for 2-[(3S)-1-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]pyrrolidin-3-yl]-N-propan-2-ylquinoline-4-carboxamide?
The canonical SMILES for 2-[(3S)-1-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]pyrrolidin-3-yl]-N-propan-2-ylquinoline-4-carboxamide is Cc1nn(C(C)C)c(C)c1CN1CC[C@H](c2cc(C(=O)NC(C)C)c3ccccc3n2)C1.
What is the InChIKey of 2-[(3S)-1-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]pyrrolidin-3-yl]-N-propan-2-ylquinoline-4-carboxamide?
The InChIKey is LGUXFZCFSXMHDW-FQEVSTJZSA-N. The full InChI is InChI=1S/C26H35N5O/c1-16(2)27-26(32)22-13-25(28-24-10-8-7-9-21(22)24)20-11-12-30(14-20)15-23-18(5)29-31(17(3)4)19(23)6/h7-10,13,16-17,20H,11-12,14-15H2,1-6H3,(H,27,32)/t20-/m0/s1.
What are the key properties of 2-[(3S)-1-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]pyrrolidin-3-yl]-N-propan-2-ylquinoline-4-carboxamide?
2-[(3S)-1-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]pyrrolidin-3-yl]-N-propan-2-ylquinoline-4-carboxamide has a molecular weight of 433.60 g/mol, XLogP of 4.76, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-1-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]pyrrolidin-3-yl]-N-propan-2-ylquinoline-4-carboxamide is sourced from PubChem (CID 92638819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).