[(3S)-3-imidazol-1-ylpiperidin-1-yl]-[1-(pyridin-3-ylmethyl)pyrrol-2-yl]methanone

C19H21N5O — CID 95346001

IUPAC[(3S)-3-imidazol-1-ylpiperidin-1-yl]-[1-(pyridin-3-ylmethyl)pyrrol-2-yl]methanone
SMILESO=C(c1cccn1Cc1cccnc1)N1CCC[C@H](n2ccnc2)C1
InChIInChI=1S/C19H21N5O/c25-19(23-10-2-5-17(14-23)24-11-8-21-15-24)18-6-3-9-22(18)13-16-4-1-7-20-12-16/h1,3-4,6-9,11-12,15,17H,2,5,10,13-14H2/t17-/m0/s1
InChIKeyDBCIZXWGTDGIGH-KRWDZBQOSA-N
MW335.41 g/mol
LogP2.61
Rot. Bonds4

About [(3S)-3-imidazol-1-ylpiperidin-1-yl]-[1-(pyridin-3-ylmethyl)pyrrol-2-yl]methanone

[(3S)-3-imidazol-1-ylpiperidin-1-yl]-[1-(pyridin-3-ylmethyl)pyrrol-2-yl]methanone (PubChem CID 95346001) has the molecular formula C19H21N5O and a molecular weight of 335.41 g/mol. Its IUPAC name is [(3S)-3-imidazol-1-ylpiperidin-1-yl]-[1-(pyridin-3-ylmethyl)pyrrol-2-yl]methanone.

Molecular Properties

Compound Name[(3S)-3-imidazol-1-ylpiperidin-1-yl]-[1-(pyridin-3-ylmethyl)pyrrol-2-yl]methanone
PubChem CID95346001
Molecular FormulaC19H21N5O
Molecular Weight335.41 g/mol
Exact Mass335.17
IUPAC Name[(3S)-3-imidazol-1-ylpiperidin-1-yl]-[1-(pyridin-3-ylmethyl)pyrrol-2-yl]methanone
SMILESO=C(c1cccn1Cc1cccnc1)N1CCC[C@H](n2ccnc2)C1
InChIInChI=1S/C19H21N5O/c25-19(23-10-2-5-17(14-23)24-11-8-21-15-24)18-6-3-9-22(18)13-16-4-1-7-20-12-16/h1,3-4,6-9,11-12,15,17H,2,5,10,13-14H2/t17-/m0/s1
InChIKeyDBCIZXWGTDGIGH-KRWDZBQOSA-N
XLogP2.61
TPSA55.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [(3S)-3-imidazol-1-ylpiperidin-1-yl]-[1-(pyridin-3-ylmethyl)pyrrol-2-yl]methanone with MolForge

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Related Compounds

(1-benzylpyrrol-2-yl)-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]methanone
CID 95158674
[(3R)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]-[1-(pyridin-4-ylmethyl)pyrrol-2-yl]methanone
CID 95285064
1-[(3R)-3-imidazol-1-ylpiperidin-1-yl]-2-(4-pyrazol-1-ylphenyl)ethanone
CID 95346883
[(3S,4R)-3-(dimethylamino)-4-ethylpyrrolidin-1-yl]-[1-(pyridin-3-ylmethyl)pyrrol-2-yl]methanone
CID 97097041
3-[(3S)-3-imidazol-1-ylpiperidine-1-carbonyl]benzamide
CID 95569094
[(3S)-3-imidazol-1-ylpiperidin-1-yl]-(2-phenyltriazol-4-yl)methanone
CID 95323916
[1-(2-phenylethyl)pyrrol-2-yl]-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]methanone
CID 95287919
[(3S)-3-imidazol-1-ylpiperidin-1-yl]-(1H-indazol-3-yl)methanone
CID 95313752
[(3R)-3-imidazol-1-ylpiperidin-1-yl]-(2-phenoxy-3-pyridinyl)methanone
CID 95314140
5-[(3S)-3-imidazol-1-ylpiperidine-1-carbonyl]thiophene-2-carboxamide
CID 95319281
2,3-dihydro-1,4-benzodioxin-6-yl-[(3S)-3-imidazol-1-ylpiperidin-1-yl]methanone
CID 95312405
5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[(3S)-3-imidazol-1-ylpiperidin-1-yl]methanone
CID 95314051

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-imidazol-1-ylpiperidin-1-yl]-[1-(pyridin-3-ylmethyl)pyrrol-2-yl]methanone?
The IUPAC name of [(3S)-3-imidazol-1-ylpiperidin-1-yl]-[1-(pyridin-3-ylmethyl)pyrrol-2-yl]methanone (CID 95346001) is [(3S)-3-imidazol-1-ylpiperidin-1-yl]-[1-(pyridin-3-ylmethyl)pyrrol-2-yl]methanone.
What is the SMILES notation for [(3S)-3-imidazol-1-ylpiperidin-1-yl]-[1-(pyridin-3-ylmethyl)pyrrol-2-yl]methanone?
The canonical SMILES for [(3S)-3-imidazol-1-ylpiperidin-1-yl]-[1-(pyridin-3-ylmethyl)pyrrol-2-yl]methanone is O=C(c1cccn1Cc1cccnc1)N1CCC[C@H](n2ccnc2)C1.
What is the InChIKey of [(3S)-3-imidazol-1-ylpiperidin-1-yl]-[1-(pyridin-3-ylmethyl)pyrrol-2-yl]methanone?
The InChIKey is DBCIZXWGTDGIGH-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H21N5O/c25-19(23-10-2-5-17(14-23)24-11-8-21-15-24)18-6-3-9-22(18)13-16-4-1-7-20-12-16/h1,3-4,6-9,11-12,15,17H,2,5,10,13-14H2/t17-/m0/s1.
What are the key properties of [(3S)-3-imidazol-1-ylpiperidin-1-yl]-[1-(pyridin-3-ylmethyl)pyrrol-2-yl]methanone?
[(3S)-3-imidazol-1-ylpiperidin-1-yl]-[1-(pyridin-3-ylmethyl)pyrrol-2-yl]methanone has a molecular weight of 335.41 g/mol, XLogP of 2.61, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-imidazol-1-ylpiperidin-1-yl]-[1-(pyridin-3-ylmethyl)pyrrol-2-yl]methanone is sourced from PubChem (CID 95346001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).