N-[(1R,2R,4S)-2-hydroxy-4-(3-methyl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl)cyclopentyl]-1-methylimidazole-4-carboxamide

C18H24N6O3 — CID 157015023

IUPACN-[(1R,2R,4S)-2-hydroxy-4-(3-methyl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl)cyclopentyl]-1-methylimidazole-4-carboxamide
SMILESCc1[nH]nc2c1CN(C(=O)[C@@H]1C[C@@H](O)[C@H](NC(=O)c3cn(C)cn3)C1)CC2
InChIInChI=1S/C18H24N6O3/c1-10-12-7-24(4-3-13(12)22-21-10)18(27)11-5-14(16(25)6-11)20-17(26)15-8-23(2)9-19-15/h8-9,11,14,16,25H,3-7H2,1-2H3,(H,20,26)(H,21,22)/t11-,14+,16+/m0/s1
InChIKeyZDPHYLLMKFOIFI-SGIREYDYSA-N
MW372.43 g/mol
LogP-0.09
Rot. Bonds3

About N-[(1R,2R,4S)-2-hydroxy-4-(3-methyl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl)cyclopentyl]-1-methylimidazole-4-carboxamide

N-[(1R,2R,4S)-2-hydroxy-4-(3-methyl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl)cyclopentyl]-1-methylimidazole-4-carboxamide (PubChem CID 157015023) has the molecular formula C18H24N6O3 and a molecular weight of 372.43 g/mol. Its IUPAC name is N-[(1R,2R,4S)-2-hydroxy-4-(3-methyl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl)cyclopentyl]-1-methylimidazole-4-carboxamide.

Molecular Properties

Compound NameN-[(1R,2R,4S)-2-hydroxy-4-(3-methyl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl)cyclopentyl]-1-methylimidazole-4-carboxamide
PubChem CID157015023
Molecular FormulaC18H24N6O3
Molecular Weight372.43 g/mol
Exact Mass372.19
IUPAC NameN-[(1R,2R,4S)-2-hydroxy-4-(3-methyl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl)cyclopentyl]-1-methylimidazole-4-carboxamide
SMILESCc1[nH]nc2c1CN(C(=O)[C@@H]1C[C@@H](O)[C@H](NC(=O)c3cn(C)cn3)C1)CC2
InChIInChI=1S/C18H24N6O3/c1-10-12-7-24(4-3-13(12)22-21-10)18(27)11-5-14(16(25)6-11)20-17(26)15-8-23(2)9-19-15/h8-9,11,14,16,25H,3-7H2,1-2H3,(H,20,26)(H,21,22)/t11-,14+,16+/m0/s1
InChIKeyZDPHYLLMKFOIFI-SGIREYDYSA-N
XLogP-0.09
TPSA116.14 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 5-0.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[(1R,2R,4S)-2-hydroxy-4-(3-methyl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl)cyclopentyl]-1-methylimidazole-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R,4S)-2-hydroxy-4-(3-methyl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl)cyclopentyl]-1-methylimidazole-4-carboxamide?
The IUPAC name of N-[(1R,2R,4S)-2-hydroxy-4-(3-methyl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl)cyclopentyl]-1-methylimidazole-4-carboxamide (CID 157015023) is N-[(1R,2R,4S)-2-hydroxy-4-(3-methyl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl)cyclopentyl]-1-methylimidazole-4-carboxamide.
What is the SMILES notation for N-[(1R,2R,4S)-2-hydroxy-4-(3-methyl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl)cyclopentyl]-1-methylimidazole-4-carboxamide?
The canonical SMILES for N-[(1R,2R,4S)-2-hydroxy-4-(3-methyl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl)cyclopentyl]-1-methylimidazole-4-carboxamide is Cc1[nH]nc2c1CN(C(=O)[C@@H]1C[C@@H](O)[C@H](NC(=O)c3cn(C)cn3)C1)CC2.
What is the InChIKey of N-[(1R,2R,4S)-2-hydroxy-4-(3-methyl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl)cyclopentyl]-1-methylimidazole-4-carboxamide?
The InChIKey is ZDPHYLLMKFOIFI-SGIREYDYSA-N. The full InChI is InChI=1S/C18H24N6O3/c1-10-12-7-24(4-3-13(12)22-21-10)18(27)11-5-14(16(25)6-11)20-17(26)15-8-23(2)9-19-15/h8-9,11,14,16,25H,3-7H2,1-2H3,(H,20,26)(H,21,22)/t11-,14+,16+/m0/s1.
What are the key properties of N-[(1R,2R,4S)-2-hydroxy-4-(3-methyl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl)cyclopentyl]-1-methylimidazole-4-carboxamide?
N-[(1R,2R,4S)-2-hydroxy-4-(3-methyl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl)cyclopentyl]-1-methylimidazole-4-carboxamide has a molecular weight of 372.43 g/mol, XLogP of -0.09, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R,4S)-2-hydroxy-4-(3-methyl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl)cyclopentyl]-1-methylimidazole-4-carboxamide is sourced from PubChem (CID 157015023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).