(4-chloro-1H-pyrrol-2-yl)-[4-[(1-cyclopropylimidazol-2-yl)methylamino]piperidin-1-yl]methanone

C17H22ClN5O — CID 146077401

IUPAC(4-chloro-1H-pyrrol-2-yl)-[4-[(1-cyclopropylimidazol-2-yl)methylamino]piperidin-1-yl]methanone
SMILESO=C(c1cc(Cl)c[nH]1)N1CCC(NCc2nccn2C2CC2)CC1
InChIInChI=1S/C17H22ClN5O/c18-12-9-15(21-10-12)17(24)22-6-3-13(4-7-22)20-11-16-19-5-8-23(16)14-1-2-14/h5,8-10,13-14,20-21H,1-4,6-7,11H2
InChIKeyVXVKMRQVADCGEI-UHFFFAOYSA-N
MW347.85 g/mol
LogP2.59
Rot. Bonds5

About (4-chloro-1H-pyrrol-2-yl)-[4-[(1-cyclopropylimidazol-2-yl)methylamino]piperidin-1-yl]methanone

(4-chloro-1H-pyrrol-2-yl)-[4-[(1-cyclopropylimidazol-2-yl)methylamino]piperidin-1-yl]methanone (PubChem CID 146077401) has the molecular formula C17H22ClN5O and a molecular weight of 347.85 g/mol. Its IUPAC name is (4-chloro-1H-pyrrol-2-yl)-[4-[(1-cyclopropylimidazol-2-yl)methylamino]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-chloro-1H-pyrrol-2-yl)-[4-[(1-cyclopropylimidazol-2-yl)methylamino]piperidin-1-yl]methanone
PubChem CID146077401
Molecular FormulaC17H22ClN5O
Molecular Weight347.85 g/mol
Exact Mass347.15
IUPAC Name(4-chloro-1H-pyrrol-2-yl)-[4-[(1-cyclopropylimidazol-2-yl)methylamino]piperidin-1-yl]methanone
SMILESO=C(c1cc(Cl)c[nH]1)N1CCC(NCc2nccn2C2CC2)CC1
InChIInChI=1S/C17H22ClN5O/c18-12-9-15(21-10-12)17(24)22-6-3-13(4-7-22)20-11-16-19-5-8-23(16)14-1-2-14/h5,8-10,13-14,20-21H,1-4,6-7,11H2
InChIKeyVXVKMRQVADCGEI-UHFFFAOYSA-N
XLogP2.59
TPSA65.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.85
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (4-chloro-1H-pyrrol-2-yl)-[4-[(1-cyclopropylimidazol-2-yl)methylamino]piperidin-1-yl]methanone with MolForge

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Related Compounds

(4-chloro-1H-pyrrol-2-yl)-[4-[[4-(3-methylpyrazol-1-yl)phenyl]methylamino]piperidin-1-yl]methanone
CID 166269204
(4-chloro-1H-pyrrol-2-yl)-(4-cyclopropylpiperazin-1-yl)methanone
CID 56820747
(4-chloro-1H-pyrrol-2-yl)-[3-(methylamino)piperidin-1-yl]methanone
CID 62535398
(4-chloro-1H-pyrrol-2-yl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 18143112
(4-chloro-1H-pyrrol-2-yl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 80706740
(3-aminopyrrolidin-1-yl)-(4-chloro-1H-pyrrol-2-yl)methanone
CID 62068437
(4-chloro-1H-pyrrol-2-yl)-[3-(2-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 115746683
(4-chloro-1H-pyrrol-2-yl)-[4-[(R)-hydroxy(phenyl)methyl]piperidin-1-yl]methanone
CID 38479790
4-chloro-N-(1-pyrazin-2-ylpiperidin-4-yl)-1H-pyrrole-2-carboxamide
CID 119072365
(4-chloro-1H-pyrrol-2-yl)-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]methanone
CID 47525513
[4-(cyclopropylmethylamino)piperidin-1-yl]-(4-iodo-1H-pyrrol-2-yl)methanone;hydrochloride
CID 119623972
1-[(3S)-1-(4-chloro-1H-pyrrole-2-carbonyl)piperidin-3-yl]-1,2,4-triazole-3-carboxamide
CID 129490144

Frequently Asked Questions

What is the IUPAC name of (4-chloro-1H-pyrrol-2-yl)-[4-[(1-cyclopropylimidazol-2-yl)methylamino]piperidin-1-yl]methanone?
The IUPAC name of (4-chloro-1H-pyrrol-2-yl)-[4-[(1-cyclopropylimidazol-2-yl)methylamino]piperidin-1-yl]methanone (CID 146077401) is (4-chloro-1H-pyrrol-2-yl)-[4-[(1-cyclopropylimidazol-2-yl)methylamino]piperidin-1-yl]methanone.
What is the SMILES notation for (4-chloro-1H-pyrrol-2-yl)-[4-[(1-cyclopropylimidazol-2-yl)methylamino]piperidin-1-yl]methanone?
The canonical SMILES for (4-chloro-1H-pyrrol-2-yl)-[4-[(1-cyclopropylimidazol-2-yl)methylamino]piperidin-1-yl]methanone is O=C(c1cc(Cl)c[nH]1)N1CCC(NCc2nccn2C2CC2)CC1.
What is the InChIKey of (4-chloro-1H-pyrrol-2-yl)-[4-[(1-cyclopropylimidazol-2-yl)methylamino]piperidin-1-yl]methanone?
The InChIKey is VXVKMRQVADCGEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClN5O/c18-12-9-15(21-10-12)17(24)22-6-3-13(4-7-22)20-11-16-19-5-8-23(16)14-1-2-14/h5,8-10,13-14,20-21H,1-4,6-7,11H2.
What are the key properties of (4-chloro-1H-pyrrol-2-yl)-[4-[(1-cyclopropylimidazol-2-yl)methylamino]piperidin-1-yl]methanone?
(4-chloro-1H-pyrrol-2-yl)-[4-[(1-cyclopropylimidazol-2-yl)methylamino]piperidin-1-yl]methanone has a molecular weight of 347.85 g/mol, XLogP of 2.59, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-1H-pyrrol-2-yl)-[4-[(1-cyclopropylimidazol-2-yl)methylamino]piperidin-1-yl]methanone is sourced from PubChem (CID 146077401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).