N-(1,3-benzodioxol-5-ylmethyl)-5-(3-methoxybenzoyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide

C24H24N4O5 — CID 53066585

IUPACN-(1,3-benzodioxol-5-ylmethyl)-5-(3-methoxybenzoyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
SMILESCOc1cccc(C(=O)N2CCc3c(c(C(=O)NCc4ccc5c(c4)OCO5)nn3C)C2)c1
InChIInChI=1S/C24H24N4O5/c1-27-19-8-9-28(24(30)16-4-3-5-17(11-16)31-2)13-18(19)22(26-27)23(29)25-12-15-6-7-20-21(10-15)33-14-32-20/h3-7,10-11H,8-9,12-14H2,1-2H3,(H,25,29)
InChIKeyYOILQYLTMJELHS-UHFFFAOYSA-N
MW448.48 g/mol
LogP2.29
Rot. Bonds5

About N-(1,3-benzodioxol-5-ylmethyl)-5-(3-methoxybenzoyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide

N-(1,3-benzodioxol-5-ylmethyl)-5-(3-methoxybenzoyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide (PubChem CID 53066585) has the molecular formula C24H24N4O5 and a molecular weight of 448.48 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-5-(3-methoxybenzoyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-5-(3-methoxybenzoyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
PubChem CID53066585
Molecular FormulaC24H24N4O5
Molecular Weight448.48 g/mol
Exact Mass448.17
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-5-(3-methoxybenzoyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
SMILESCOc1cccc(C(=O)N2CCc3c(c(C(=O)NCc4ccc5c(c4)OCO5)nn3C)C2)c1
InChIInChI=1S/C24H24N4O5/c1-27-19-8-9-28(24(30)16-4-3-5-17(11-16)31-2)13-18(19)22(26-27)23(29)25-12-15-6-7-20-21(10-15)33-14-32-20/h3-7,10-11H,8-9,12-14H2,1-2H3,(H,25,29)
InChIKeyYOILQYLTMJELHS-UHFFFAOYSA-N
XLogP2.29
TPSA94.92 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.48
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-5-(3-methoxybenzoyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-5-(3-methoxybenzoyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide (CID 53066585) is N-(1,3-benzodioxol-5-ylmethyl)-5-(3-methoxybenzoyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-5-(3-methoxybenzoyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-5-(3-methoxybenzoyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide is COc1cccc(C(=O)N2CCc3c(c(C(=O)NCc4ccc5c(c4)OCO5)nn3C)C2)c1.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-5-(3-methoxybenzoyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The InChIKey is YOILQYLTMJELHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O5/c1-27-19-8-9-28(24(30)16-4-3-5-17(11-16)31-2)13-18(19)22(26-27)23(29)25-12-15-6-7-20-21(10-15)33-14-32-20/h3-7,10-11H,8-9,12-14H2,1-2H3,(H,25,29).
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-5-(3-methoxybenzoyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
N-(1,3-benzodioxol-5-ylmethyl)-5-(3-methoxybenzoyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide has a molecular weight of 448.48 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)-5-(3-methoxybenzoyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 53066585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).