N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]-2-(1-methylpiperidin-4-yl)-1H-imidazole-5-carboxamide

C19H28N6O2 — CID 146113851

IUPACN-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]-2-(1-methylpiperidin-4-yl)-1H-imidazole-5-carboxamide
SMILESCN1CCC(c2ncc(C(=O)N[C@@H]3CC(Cn4cccn4)C[C@H]3O)[nH]2)CC1
InChIInChI=1S/C19H28N6O2/c1-24-7-3-14(4-8-24)18-20-11-16(22-18)19(27)23-15-9-13(10-17(15)26)12-25-6-2-5-21-25/h2,5-6,11,13-15,17,26H,3-4,7-10,12H2,1H3,(H,20,22)(H,23,27)/t13?,15-,17-/m1/s1
InChIKeyYONJFCXYPJIVTR-RJPUVWTNSA-N
MW372.47 g/mol
LogP0.98
Rot. Bonds5

About N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]-2-(1-methylpiperidin-4-yl)-1H-imidazole-5-carboxamide

N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]-2-(1-methylpiperidin-4-yl)-1H-imidazole-5-carboxamide (PubChem CID 146113851) has the molecular formula C19H28N6O2 and a molecular weight of 372.47 g/mol. Its IUPAC name is N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]-2-(1-methylpiperidin-4-yl)-1H-imidazole-5-carboxamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]-2-(1-methylpiperidin-4-yl)-1H-imidazole-5-carboxamide
PubChem CID146113851
Molecular FormulaC19H28N6O2
Molecular Weight372.47 g/mol
Exact Mass372.23
IUPAC NameN-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]-2-(1-methylpiperidin-4-yl)-1H-imidazole-5-carboxamide
SMILESCN1CCC(c2ncc(C(=O)N[C@@H]3CC(Cn4cccn4)C[C@H]3O)[nH]2)CC1
InChIInChI=1S/C19H28N6O2/c1-24-7-3-14(4-8-24)18-20-11-16(22-18)19(27)23-15-9-13(10-17(15)26)12-25-6-2-5-21-25/h2,5-6,11,13-15,17,26H,3-4,7-10,12H2,1H3,(H,20,22)(H,23,27)/t13?,15-,17-/m1/s1
InChIKeyYONJFCXYPJIVTR-RJPUVWTNSA-N
XLogP0.98
TPSA99.07 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 50.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]-2-(1-methylpiperidin-4-yl)-1H-imidazole-5-carboxamide?
The IUPAC name of N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]-2-(1-methylpiperidin-4-yl)-1H-imidazole-5-carboxamide (CID 146113851) is N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]-2-(1-methylpiperidin-4-yl)-1H-imidazole-5-carboxamide.
What is the SMILES notation for N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]-2-(1-methylpiperidin-4-yl)-1H-imidazole-5-carboxamide?
The canonical SMILES for N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]-2-(1-methylpiperidin-4-yl)-1H-imidazole-5-carboxamide is CN1CCC(c2ncc(C(=O)N[C@@H]3CC(Cn4cccn4)C[C@H]3O)[nH]2)CC1.
What is the InChIKey of N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]-2-(1-methylpiperidin-4-yl)-1H-imidazole-5-carboxamide?
The InChIKey is YONJFCXYPJIVTR-RJPUVWTNSA-N. The full InChI is InChI=1S/C19H28N6O2/c1-24-7-3-14(4-8-24)18-20-11-16(22-18)19(27)23-15-9-13(10-17(15)26)12-25-6-2-5-21-25/h2,5-6,11,13-15,17,26H,3-4,7-10,12H2,1H3,(H,20,22)(H,23,27)/t13?,15-,17-/m1/s1.
What are the key properties of N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]-2-(1-methylpiperidin-4-yl)-1H-imidazole-5-carboxamide?
N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]-2-(1-methylpiperidin-4-yl)-1H-imidazole-5-carboxamide has a molecular weight of 372.47 g/mol, XLogP of 0.98, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]-2-(1-methylpiperidin-4-yl)-1H-imidazole-5-carboxamide is sourced from PubChem (CID 146113851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).