N-[(1R,2S)-2-imidazol-1-ylcyclopentyl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide

C17H22N6O — CID 136587543

IUPACN-[(1R,2S)-2-imidazol-1-ylcyclopentyl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide
SMILESO=C(N[C@@H]1CCC[C@@H]1n1ccnc1)c1ccc(N2CCCC2)nn1
InChIInChI=1S/C17H22N6O/c24-17(14-6-7-16(21-20-14)22-9-1-2-10-22)19-13-4-3-5-15(13)23-11-8-18-12-23/h6-8,11-13,15H,1-5,9-10H2,(H,19,24)/t13-,15+/m1/s1
InChIKeyMHJHAXZGUICMPJ-HIFRSBDPSA-N
MW326.40 g/mol
LogP1.80
Rot. Bonds4

About N-[(1R,2S)-2-imidazol-1-ylcyclopentyl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide

N-[(1R,2S)-2-imidazol-1-ylcyclopentyl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide (PubChem CID 136587543) has the molecular formula C17H22N6O and a molecular weight of 326.40 g/mol. Its IUPAC name is N-[(1R,2S)-2-imidazol-1-ylcyclopentyl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[(1R,2S)-2-imidazol-1-ylcyclopentyl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide
PubChem CID136587543
Molecular FormulaC17H22N6O
Molecular Weight326.40 g/mol
Exact Mass326.19
IUPAC NameN-[(1R,2S)-2-imidazol-1-ylcyclopentyl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide
SMILESO=C(N[C@@H]1CCC[C@@H]1n1ccnc1)c1ccc(N2CCCC2)nn1
InChIInChI=1S/C17H22N6O/c24-17(14-6-7-16(21-20-14)22-9-1-2-10-22)19-13-4-3-5-15(13)23-11-8-18-12-23/h6-8,11-13,15H,1-5,9-10H2,(H,19,24)/t13-,15+/m1/s1
InChIKeyMHJHAXZGUICMPJ-HIFRSBDPSA-N
XLogP1.80
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1R,2R,3R)-2-hydroxy-3-imidazol-1-ylcyclohexyl]-4-pyrrolidin-1-ylbenzamide
CID 110127780
N-cyclohexyl-6-piperidin-1-ylpyridazine-3-carboxamide
CID 109112450
[(3R)-3-imidazol-1-ylpiperidin-1-yl]-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone
CID 95314596
5-chloro-N-(2-imidazol-1-ylcyclopentyl)furan-2-carboxamide
CID 103617988
2-bromo-N-(2-imidazol-1-ylcyclopentyl)pyridine-4-carboxamide
CID 103755463
2-bromo-4-chloro-N-(2-imidazol-1-ylcyclopentyl)benzamide
CID 103763911
2-amino-4-bromo-N-(2-imidazol-1-ylcyclopentyl)benzamide
CID 79704385
N-(cyclobutylmethyl)-6-piperidin-1-ylpyridazine-3-carboxamide
CID 141463742
4-[(2-imidazol-1-ylcyclopentyl)amino]piperidine-1-carboxamide
CID 43788920
N-[(1R,2R,3R)-2-hydroxy-3-imidazol-1-ylcyclohexyl]pyridazine-4-carboxamide
CID 110127815
(2R)-2-(2-chlorophenyl)-2-hydroxy-N-[(1R,2S)-2-imidazol-1-ylcyclopentyl]acetamide
CID 136587530
N-[(1R,2S)-2-imidazol-1-ylcyclopentyl]-1-oxo-2H-isoquinoline-3-carboxamide
CID 95980741

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S)-2-imidazol-1-ylcyclopentyl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide?
The IUPAC name of N-[(1R,2S)-2-imidazol-1-ylcyclopentyl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide (CID 136587543) is N-[(1R,2S)-2-imidazol-1-ylcyclopentyl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide.
What is the SMILES notation for N-[(1R,2S)-2-imidazol-1-ylcyclopentyl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide?
The canonical SMILES for N-[(1R,2S)-2-imidazol-1-ylcyclopentyl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide is O=C(N[C@@H]1CCC[C@@H]1n1ccnc1)c1ccc(N2CCCC2)nn1.
What is the InChIKey of N-[(1R,2S)-2-imidazol-1-ylcyclopentyl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide?
The InChIKey is MHJHAXZGUICMPJ-HIFRSBDPSA-N. The full InChI is InChI=1S/C17H22N6O/c24-17(14-6-7-16(21-20-14)22-9-1-2-10-22)19-13-4-3-5-15(13)23-11-8-18-12-23/h6-8,11-13,15H,1-5,9-10H2,(H,19,24)/t13-,15+/m1/s1.
What are the key properties of N-[(1R,2S)-2-imidazol-1-ylcyclopentyl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide?
N-[(1R,2S)-2-imidazol-1-ylcyclopentyl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide has a molecular weight of 326.40 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S)-2-imidazol-1-ylcyclopentyl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide is sourced from PubChem (CID 136587543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).