N-[[7-(imidazo[1,2-a]pyridine-2-carbonyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-1,3-benzodioxole-5-carboxamide

C26H23N5O4 — CID 42322563

IUPACN-[[7-(imidazo[1,2-a]pyridine-2-carbonyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-1,3-benzodioxole-5-carboxamide
SMILESCc1ncc2c(c1CNC(=O)c1ccc3c(c1)OCO3)CCN(C(=O)c1cn3ccccc3n1)C2
InChIInChI=1S/C26H23N5O4/c1-16-20(12-28-25(32)17-5-6-22-23(10-17)35-15-34-22)19-7-9-31(13-18(19)11-27-16)26(33)21-14-30-8-3-2-4-24(30)29-21/h2-6,8,10-11,14H,7,9,12-13,15H2,1H3,(H,28,32)
InChIKeySKVJHYZWPARVOI-UHFFFAOYSA-N
MW469.50 g/mol
LogP2.89
Rot. Bonds4

About N-[[7-(imidazo[1,2-a]pyridine-2-carbonyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-1,3-benzodioxole-5-carboxamide

N-[[7-(imidazo[1,2-a]pyridine-2-carbonyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-1,3-benzodioxole-5-carboxamide (PubChem CID 42322563) has the molecular formula C26H23N5O4 and a molecular weight of 469.50 g/mol. Its IUPAC name is N-[[7-(imidazo[1,2-a]pyridine-2-carbonyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound NameN-[[7-(imidazo[1,2-a]pyridine-2-carbonyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-1,3-benzodioxole-5-carboxamide
PubChem CID42322563
Molecular FormulaC26H23N5O4
Molecular Weight469.50 g/mol
Exact Mass469.18
IUPAC NameN-[[7-(imidazo[1,2-a]pyridine-2-carbonyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-1,3-benzodioxole-5-carboxamide
SMILESCc1ncc2c(c1CNC(=O)c1ccc3c(c1)OCO3)CCN(C(=O)c1cn3ccccc3n1)C2
InChIInChI=1S/C26H23N5O4/c1-16-20(12-28-25(32)17-5-6-22-23(10-17)35-15-34-22)19-7-9-31(13-18(19)11-27-16)26(33)21-14-30-8-3-2-4-24(30)29-21/h2-6,8,10-11,14H,7,9,12-13,15H2,1H3,(H,28,32)
InChIKeySKVJHYZWPARVOI-UHFFFAOYSA-N
XLogP2.89
TPSA98.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.50
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[[7-(imidazo[1,2-a]pyridine-2-carbonyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-1,3-benzodioxole-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[[7-(imidazo[1,2-a]pyridine-2-carbonyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-1,3-benzodioxole-5-carboxamide?
The IUPAC name of N-[[7-(imidazo[1,2-a]pyridine-2-carbonyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-1,3-benzodioxole-5-carboxamide (CID 42322563) is N-[[7-(imidazo[1,2-a]pyridine-2-carbonyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for N-[[7-(imidazo[1,2-a]pyridine-2-carbonyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for N-[[7-(imidazo[1,2-a]pyridine-2-carbonyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-1,3-benzodioxole-5-carboxamide is Cc1ncc2c(c1CNC(=O)c1ccc3c(c1)OCO3)CCN(C(=O)c1cn3ccccc3n1)C2.
What is the InChIKey of N-[[7-(imidazo[1,2-a]pyridine-2-carbonyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-1,3-benzodioxole-5-carboxamide?
The InChIKey is SKVJHYZWPARVOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N5O4/c1-16-20(12-28-25(32)17-5-6-22-23(10-17)35-15-34-22)19-7-9-31(13-18(19)11-27-16)26(33)21-14-30-8-3-2-4-24(30)29-21/h2-6,8,10-11,14H,7,9,12-13,15H2,1H3,(H,28,32).
What are the key properties of N-[[7-(imidazo[1,2-a]pyridine-2-carbonyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-1,3-benzodioxole-5-carboxamide?
N-[[7-(imidazo[1,2-a]pyridine-2-carbonyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-1,3-benzodioxole-5-carboxamide has a molecular weight of 469.50 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[7-(imidazo[1,2-a]pyridine-2-carbonyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 42322563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).