N-[(4R)-2-(2-methoxy-4-pyridinyl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-4-yl]-2,5-dimethyl-1,2,4-triazole-3-carboxamide

C17H19N7O2 — CID 177296047

IUPACN-[(4R)-2-(2-methoxy-4-pyridinyl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-4-yl]-2,5-dimethyl-1,2,4-triazole-3-carboxamide
SMILESCOc1cc(-c2cc3n(n2)CC[C@H]3NC(=O)c2nc(C)nn2C)ccn1
InChIInChI=1S/C17H19N7O2/c1-10-19-16(23(2)21-10)17(25)20-12-5-7-24-14(12)9-13(22-24)11-4-6-18-15(8-11)26-3/h4,6,8-9,12H,5,7H2,1-3H3,(H,20,25)/t12-/m1/s1
InChIKeyZYNDLUOFJJBDTC-GFCCVEGCSA-N
MW353.39 g/mol
LogP1.27
Rot. Bonds4

About N-[(4R)-2-(2-methoxy-4-pyridinyl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-4-yl]-2,5-dimethyl-1,2,4-triazole-3-carboxamide

N-[(4R)-2-(2-methoxy-4-pyridinyl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-4-yl]-2,5-dimethyl-1,2,4-triazole-3-carboxamide (PubChem CID 177296047) has the molecular formula C17H19N7O2 and a molecular weight of 353.39 g/mol. Its IUPAC name is N-[(4R)-2-(2-methoxy-4-pyridinyl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-4-yl]-2,5-dimethyl-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound NameN-[(4R)-2-(2-methoxy-4-pyridinyl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-4-yl]-2,5-dimethyl-1,2,4-triazole-3-carboxamide
PubChem CID177296047
Molecular FormulaC17H19N7O2
Molecular Weight353.39 g/mol
Exact Mass353.16
IUPAC NameN-[(4R)-2-(2-methoxy-4-pyridinyl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-4-yl]-2,5-dimethyl-1,2,4-triazole-3-carboxamide
SMILESCOc1cc(-c2cc3n(n2)CC[C@H]3NC(=O)c2nc(C)nn2C)ccn1
InChIInChI=1S/C17H19N7O2/c1-10-19-16(23(2)21-10)17(25)20-12-5-7-24-14(12)9-13(22-24)11-4-6-18-15(8-11)26-3/h4,6,8-9,12H,5,7H2,1-3H3,(H,20,25)/t12-/m1/s1
InChIKeyZYNDLUOFJJBDTC-GFCCVEGCSA-N
XLogP1.27
TPSA99.75 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.39
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[(4R)-2-(2-methoxy-4-pyridinyl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-4-yl]-2,5-dimethyl-1,2,4-triazole-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(4R)-2-(2-methoxy-4-pyridinyl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-4-yl]-2,5-dimethyl-1,2,4-triazole-3-carboxamide?
The IUPAC name of N-[(4R)-2-(2-methoxy-4-pyridinyl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-4-yl]-2,5-dimethyl-1,2,4-triazole-3-carboxamide (CID 177296047) is N-[(4R)-2-(2-methoxy-4-pyridinyl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-4-yl]-2,5-dimethyl-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for N-[(4R)-2-(2-methoxy-4-pyridinyl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-4-yl]-2,5-dimethyl-1,2,4-triazole-3-carboxamide?
The canonical SMILES for N-[(4R)-2-(2-methoxy-4-pyridinyl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-4-yl]-2,5-dimethyl-1,2,4-triazole-3-carboxamide is COc1cc(-c2cc3n(n2)CC[C@H]3NC(=O)c2nc(C)nn2C)ccn1.
What is the InChIKey of N-[(4R)-2-(2-methoxy-4-pyridinyl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-4-yl]-2,5-dimethyl-1,2,4-triazole-3-carboxamide?
The InChIKey is ZYNDLUOFJJBDTC-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H19N7O2/c1-10-19-16(23(2)21-10)17(25)20-12-5-7-24-14(12)9-13(22-24)11-4-6-18-15(8-11)26-3/h4,6,8-9,12H,5,7H2,1-3H3,(H,20,25)/t12-/m1/s1.
What are the key properties of N-[(4R)-2-(2-methoxy-4-pyridinyl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-4-yl]-2,5-dimethyl-1,2,4-triazole-3-carboxamide?
N-[(4R)-2-(2-methoxy-4-pyridinyl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-4-yl]-2,5-dimethyl-1,2,4-triazole-3-carboxamide has a molecular weight of 353.39 g/mol, XLogP of 1.27, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4R)-2-(2-methoxy-4-pyridinyl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-4-yl]-2,5-dimethyl-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 177296047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).