1-[2-(4-methoxyphenyl)ethyl]-N,N-dimethyl-5-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide

C26H32N6O3 — CID 26228874

IUPAC1-[2-(4-methoxyphenyl)ethyl]-N,N-dimethyl-5-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
SMILESCOc1ccc(CCn2nc(C(=O)N(C)C)c3c2CCN(C(=O)c2n[nH]c4c2CCCC4)C3)cc1
InChIInChI=1S/C26H32N6O3/c1-30(2)25(33)24-20-16-31(26(34)23-19-6-4-5-7-21(19)27-28-23)14-13-22(20)32(29-24)15-12-17-8-10-18(35-3)11-9-17/h8-11H,4-7,12-16H2,1-3H3,(H,27,28)
InChIKeyUSZLQFXNRQPDRA-UHFFFAOYSA-N
MW476.58 g/mol
LogP2.64
Rot. Bonds6

About 1-[2-(4-methoxyphenyl)ethyl]-N,N-dimethyl-5-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide

1-[2-(4-methoxyphenyl)ethyl]-N,N-dimethyl-5-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide (PubChem CID 26228874) has the molecular formula C26H32N6O3 and a molecular weight of 476.58 g/mol. Its IUPAC name is 1-[2-(4-methoxyphenyl)ethyl]-N,N-dimethyl-5-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name1-[2-(4-methoxyphenyl)ethyl]-N,N-dimethyl-5-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
PubChem CID26228874
Molecular FormulaC26H32N6O3
Molecular Weight476.58 g/mol
Exact Mass476.25
IUPAC Name1-[2-(4-methoxyphenyl)ethyl]-N,N-dimethyl-5-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
SMILESCOc1ccc(CCn2nc(C(=O)N(C)C)c3c2CCN(C(=O)c2n[nH]c4c2CCCC4)C3)cc1
InChIInChI=1S/C26H32N6O3/c1-30(2)25(33)24-20-16-31(26(34)23-19-6-4-5-7-21(19)27-28-23)14-13-22(20)32(29-24)15-12-17-8-10-18(35-3)11-9-17/h8-11H,4-7,12-16H2,1-3H3,(H,27,28)
InChIKeyUSZLQFXNRQPDRA-UHFFFAOYSA-N
XLogP2.64
TPSA96.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.58
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[2-(4-methoxyphenyl)ethyl]-N,N-dimethyl-5-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methoxyphenyl)ethyl]-N,N-dimethyl-5-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The IUPAC name of 1-[2-(4-methoxyphenyl)ethyl]-N,N-dimethyl-5-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide (CID 26228874) is 1-[2-(4-methoxyphenyl)ethyl]-N,N-dimethyl-5-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide.
What is the SMILES notation for 1-[2-(4-methoxyphenyl)ethyl]-N,N-dimethyl-5-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The canonical SMILES for 1-[2-(4-methoxyphenyl)ethyl]-N,N-dimethyl-5-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide is COc1ccc(CCn2nc(C(=O)N(C)C)c3c2CCN(C(=O)c2n[nH]c4c2CCCC4)C3)cc1.
What is the InChIKey of 1-[2-(4-methoxyphenyl)ethyl]-N,N-dimethyl-5-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The InChIKey is USZLQFXNRQPDRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N6O3/c1-30(2)25(33)24-20-16-31(26(34)23-19-6-4-5-7-21(19)27-28-23)14-13-22(20)32(29-24)15-12-17-8-10-18(35-3)11-9-17/h8-11H,4-7,12-16H2,1-3H3,(H,27,28).
What are the key properties of 1-[2-(4-methoxyphenyl)ethyl]-N,N-dimethyl-5-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
1-[2-(4-methoxyphenyl)ethyl]-N,N-dimethyl-5-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide has a molecular weight of 476.58 g/mol, XLogP of 2.64, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methoxyphenyl)ethyl]-N,N-dimethyl-5-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 26228874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).