[2-(1-ethylpyrazol-4-yl)quinolin-4-yl]-[(2R)-2-(pyridin-3-ylmethyl)pyrrolidin-1-yl]methanone

C25H25N5O — CID 95047048

IUPAC[2-(1-ethylpyrazol-4-yl)quinolin-4-yl]-[(2R)-2-(pyridin-3-ylmethyl)pyrrolidin-1-yl]methanone
SMILESCCn1cc(-c2cc(C(=O)N3CCC[C@@H]3Cc3cccnc3)c3ccccc3n2)cn1
InChIInChI=1S/C25H25N5O/c1-2-29-17-19(16-27-29)24-14-22(21-9-3-4-10-23(21)28-24)25(31)30-12-6-8-20(30)13-18-7-5-11-26-15-18/h3-5,7,9-11,14-17,20H,2,6,8,12-13H2,1H3/t20-/m1/s1
InChIKeyHPXZUTLLVIBXAJ-HXUWFJFHSA-N
MW411.51 g/mol
LogP4.36
Rot. Bonds5

About [2-(1-ethylpyrazol-4-yl)quinolin-4-yl]-[(2R)-2-(pyridin-3-ylmethyl)pyrrolidin-1-yl]methanone

[2-(1-ethylpyrazol-4-yl)quinolin-4-yl]-[(2R)-2-(pyridin-3-ylmethyl)pyrrolidin-1-yl]methanone (PubChem CID 95047048) has the molecular formula C25H25N5O and a molecular weight of 411.51 g/mol. Its IUPAC name is [2-(1-ethylpyrazol-4-yl)quinolin-4-yl]-[(2R)-2-(pyridin-3-ylmethyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[2-(1-ethylpyrazol-4-yl)quinolin-4-yl]-[(2R)-2-(pyridin-3-ylmethyl)pyrrolidin-1-yl]methanone
PubChem CID95047048
Molecular FormulaC25H25N5O
Molecular Weight411.51 g/mol
Exact Mass411.21
IUPAC Name[2-(1-ethylpyrazol-4-yl)quinolin-4-yl]-[(2R)-2-(pyridin-3-ylmethyl)pyrrolidin-1-yl]methanone
SMILESCCn1cc(-c2cc(C(=O)N3CCC[C@@H]3Cc3cccnc3)c3ccccc3n2)cn1
InChIInChI=1S/C25H25N5O/c1-2-29-17-19(16-27-29)24-14-22(21-9-3-4-10-23(21)28-24)25(31)30-12-6-8-20(30)13-18-7-5-11-26-15-18/h3-5,7,9-11,14-17,20H,2,6,8,12-13H2,1H3/t20-/m1/s1
InChIKeyHPXZUTLLVIBXAJ-HXUWFJFHSA-N
XLogP4.36
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.51
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4aR,8aR)-1-[2-(1-ethylpyrazol-4-yl)quinoline-4-carbonyl]-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-one
CID 51392196
1,3-dihydroisoindol-2-yl-[2-(1-ethylpyrazol-4-yl)quinolin-4-yl]methanone
CID 46990998
[(2S)-2-[(dimethylamino)methyl]piperidin-1-yl]-(2-pyridin-4-ylquinolin-4-yl)methanone
CID 92606138
2-(1-ethylpyrazol-4-yl)quinoline-4-carbohydrazide
CID 7017788
N-ethyl-2-(1-ethylpyrazol-4-yl)quinoline-4-carboxamide
CID 19518786
(2-methylpyrrolidin-1-yl)-[2-(1-propan-2-ylpyrazol-4-yl)quinolin-4-yl]methanone
CID 46988948
2-(1-ethylpyrazol-4-yl)-N-[4-(piperidin-1-ylmethyl)phenyl]quinoline-4-carboxamide
CID 19518645
2-(1-ethylpyrazol-4-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)quinoline-4-carboxamide
CID 19583652
[2-(1-ethylpyrazol-4-yl)quinolin-4-yl]-[4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]methanone
CID 17022802
(2-pyridin-3-ylquinolin-4-yl)-pyrrolidin-1-ylmethanone
CID 3412131
[2-(1-ethylpyrazol-4-yl)-5,7-dimethylquinolin-4-yl]-[(2S)-2-methylpyrrolidin-1-yl]methanone
CID 95047130
2-(1-ethylpyrazol-4-yl)-7-fluoro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]quinoline-4-carboxamide
CID 45170761

Frequently Asked Questions

What is the IUPAC name of [2-(1-ethylpyrazol-4-yl)quinolin-4-yl]-[(2R)-2-(pyridin-3-ylmethyl)pyrrolidin-1-yl]methanone?
The IUPAC name of [2-(1-ethylpyrazol-4-yl)quinolin-4-yl]-[(2R)-2-(pyridin-3-ylmethyl)pyrrolidin-1-yl]methanone (CID 95047048) is [2-(1-ethylpyrazol-4-yl)quinolin-4-yl]-[(2R)-2-(pyridin-3-ylmethyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for [2-(1-ethylpyrazol-4-yl)quinolin-4-yl]-[(2R)-2-(pyridin-3-ylmethyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for [2-(1-ethylpyrazol-4-yl)quinolin-4-yl]-[(2R)-2-(pyridin-3-ylmethyl)pyrrolidin-1-yl]methanone is CCn1cc(-c2cc(C(=O)N3CCC[C@@H]3Cc3cccnc3)c3ccccc3n2)cn1.
What is the InChIKey of [2-(1-ethylpyrazol-4-yl)quinolin-4-yl]-[(2R)-2-(pyridin-3-ylmethyl)pyrrolidin-1-yl]methanone?
The InChIKey is HPXZUTLLVIBXAJ-HXUWFJFHSA-N. The full InChI is InChI=1S/C25H25N5O/c1-2-29-17-19(16-27-29)24-14-22(21-9-3-4-10-23(21)28-24)25(31)30-12-6-8-20(30)13-18-7-5-11-26-15-18/h3-5,7,9-11,14-17,20H,2,6,8,12-13H2,1H3/t20-/m1/s1.
What are the key properties of [2-(1-ethylpyrazol-4-yl)quinolin-4-yl]-[(2R)-2-(pyridin-3-ylmethyl)pyrrolidin-1-yl]methanone?
[2-(1-ethylpyrazol-4-yl)quinolin-4-yl]-[(2R)-2-(pyridin-3-ylmethyl)pyrrolidin-1-yl]methanone has a molecular weight of 411.51 g/mol, XLogP of 4.36, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-ethylpyrazol-4-yl)quinolin-4-yl]-[(2R)-2-(pyridin-3-ylmethyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 95047048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).