N-[1-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-6-cyclopentyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridine-3-carboxamide

C18H23N7O3 — CID 119072027

IUPACN-[1-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-6-cyclopentyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridine-3-carboxamide
SMILESCOc1nc2c(cc1C(=O)NC(C)c1nc(N)n[nH]1)C(=O)N(C1CCCC1)C2
InChIInChI=1S/C18H23N7O3/c1-9(14-22-18(19)24-23-14)20-15(26)12-7-11-13(21-16(12)28-2)8-25(17(11)27)10-5-3-4-6-10/h7,9-10H,3-6,8H2,1-2H3,(H,20,26)(H3,19,22,23,24)
InChIKeyUEQPPQYNGNAYJF-UHFFFAOYSA-N
MW385.43 g/mol
LogP1.18
Rot. Bonds5

About N-[1-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-6-cyclopentyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridine-3-carboxamide

N-[1-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-6-cyclopentyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridine-3-carboxamide (PubChem CID 119072027) has the molecular formula C18H23N7O3 and a molecular weight of 385.43 g/mol. Its IUPAC name is N-[1-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-6-cyclopentyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-6-cyclopentyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridine-3-carboxamide
PubChem CID119072027
Molecular FormulaC18H23N7O3
Molecular Weight385.43 g/mol
Exact Mass385.19
IUPAC NameN-[1-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-6-cyclopentyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridine-3-carboxamide
SMILESCOc1nc2c(cc1C(=O)NC(C)c1nc(N)n[nH]1)C(=O)N(C1CCCC1)C2
InChIInChI=1S/C18H23N7O3/c1-9(14-22-18(19)24-23-14)20-15(26)12-7-11-13(21-16(12)28-2)8-25(17(11)27)10-5-3-4-6-10/h7,9-10H,3-6,8H2,1-2H3,(H,20,26)(H3,19,22,23,24)
InChIKeyUEQPPQYNGNAYJF-UHFFFAOYSA-N
XLogP1.18
TPSA139.12 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.43
LogP ≤ 51.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-[1-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-6-cyclopentyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-6-cyclopentyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridine-3-carboxamide?
The IUPAC name of N-[1-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-6-cyclopentyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridine-3-carboxamide (CID 119072027) is N-[1-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-6-cyclopentyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridine-3-carboxamide.
What is the SMILES notation for N-[1-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-6-cyclopentyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridine-3-carboxamide?
The canonical SMILES for N-[1-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-6-cyclopentyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridine-3-carboxamide is COc1nc2c(cc1C(=O)NC(C)c1nc(N)n[nH]1)C(=O)N(C1CCCC1)C2.
What is the InChIKey of N-[1-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-6-cyclopentyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridine-3-carboxamide?
The InChIKey is UEQPPQYNGNAYJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N7O3/c1-9(14-22-18(19)24-23-14)20-15(26)12-7-11-13(21-16(12)28-2)8-25(17(11)27)10-5-3-4-6-10/h7,9-10H,3-6,8H2,1-2H3,(H,20,26)(H3,19,22,23,24).
What are the key properties of N-[1-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-6-cyclopentyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridine-3-carboxamide?
N-[1-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-6-cyclopentyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridine-3-carboxamide has a molecular weight of 385.43 g/mol, XLogP of 1.18, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-6-cyclopentyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridine-3-carboxamide is sourced from PubChem (CID 119072027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).