N,N,6-trimethyl-1-(1-methylindazol-5-yl)-2-(1-methylpyrazol-4-yl)-7-oxo-3H-pyrrolo[3,2-f][1,7]naphthyridine-8-carboxamide

C26H24N8O2 — CID 162426595

IUPACN,N,6-trimethyl-1-(1-methylindazol-5-yl)-2-(1-methylpyrazol-4-yl)-7-oxo-3H-pyrrolo[3,2-f][1,7]naphthyridine-8-carboxamide
SMILESCN(C)C(=O)c1cc2c3c(-c4ccc5c(cnn5C)c4)c(-c4cnn(C)c4)[nH]c3ncc2n(C)c1=O
InChIInChI=1S/C26H24N8O2/c1-31(2)25(35)18-9-17-20(33(4)26(18)36)12-27-24-22(17)21(23(30-24)16-11-28-32(3)13-16)14-6-7-19-15(8-14)10-29-34(19)5/h6-13H,1-5H3,(H,27,30)
InChIKeyPVJQJFVGVGQMNH-UHFFFAOYSA-N
MW480.53 g/mol
LogP3.07
Rot. Bonds3

About N,N,6-trimethyl-1-(1-methylindazol-5-yl)-2-(1-methylpyrazol-4-yl)-7-oxo-3H-pyrrolo[3,2-f][1,7]naphthyridine-8-carboxamide

N,N,6-trimethyl-1-(1-methylindazol-5-yl)-2-(1-methylpyrazol-4-yl)-7-oxo-3H-pyrrolo[3,2-f][1,7]naphthyridine-8-carboxamide (PubChem CID 162426595) has the molecular formula C26H24N8O2 and a molecular weight of 480.53 g/mol. Its IUPAC name is N,N,6-trimethyl-1-(1-methylindazol-5-yl)-2-(1-methylpyrazol-4-yl)-7-oxo-3H-pyrrolo[3,2-f][1,7]naphthyridine-8-carboxamide.

Molecular Properties

Compound NameN,N,6-trimethyl-1-(1-methylindazol-5-yl)-2-(1-methylpyrazol-4-yl)-7-oxo-3H-pyrrolo[3,2-f][1,7]naphthyridine-8-carboxamide
PubChem CID162426595
Molecular FormulaC26H24N8O2
Molecular Weight480.53 g/mol
Exact Mass480.20
IUPAC NameN,N,6-trimethyl-1-(1-methylindazol-5-yl)-2-(1-methylpyrazol-4-yl)-7-oxo-3H-pyrrolo[3,2-f][1,7]naphthyridine-8-carboxamide
SMILESCN(C)C(=O)c1cc2c3c(-c4ccc5c(cnn5C)c4)c(-c4cnn(C)c4)[nH]c3ncc2n(C)c1=O
InChIInChI=1S/C26H24N8O2/c1-31(2)25(35)18-9-17-20(33(4)26(18)36)12-27-24-22(17)21(23(30-24)16-11-28-32(3)13-16)14-6-7-19-15(8-14)10-29-34(19)5/h6-13H,1-5H3,(H,27,30)
InChIKeyPVJQJFVGVGQMNH-UHFFFAOYSA-N
XLogP3.07
TPSA106.63 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.53
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N,N,6-trimethyl-1-(1-methylindazol-5-yl)-2-(1-methylpyrazol-4-yl)-7-oxo-3H-pyrrolo[3,2-f][1,7]naphthyridine-8-carboxamide?
The IUPAC name of N,N,6-trimethyl-1-(1-methylindazol-5-yl)-2-(1-methylpyrazol-4-yl)-7-oxo-3H-pyrrolo[3,2-f][1,7]naphthyridine-8-carboxamide (CID 162426595) is N,N,6-trimethyl-1-(1-methylindazol-5-yl)-2-(1-methylpyrazol-4-yl)-7-oxo-3H-pyrrolo[3,2-f][1,7]naphthyridine-8-carboxamide.
What is the SMILES notation for N,N,6-trimethyl-1-(1-methylindazol-5-yl)-2-(1-methylpyrazol-4-yl)-7-oxo-3H-pyrrolo[3,2-f][1,7]naphthyridine-8-carboxamide?
The canonical SMILES for N,N,6-trimethyl-1-(1-methylindazol-5-yl)-2-(1-methylpyrazol-4-yl)-7-oxo-3H-pyrrolo[3,2-f][1,7]naphthyridine-8-carboxamide is CN(C)C(=O)c1cc2c3c(-c4ccc5c(cnn5C)c4)c(-c4cnn(C)c4)[nH]c3ncc2n(C)c1=O.
What is the InChIKey of N,N,6-trimethyl-1-(1-methylindazol-5-yl)-2-(1-methylpyrazol-4-yl)-7-oxo-3H-pyrrolo[3,2-f][1,7]naphthyridine-8-carboxamide?
The InChIKey is PVJQJFVGVGQMNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N8O2/c1-31(2)25(35)18-9-17-20(33(4)26(18)36)12-27-24-22(17)21(23(30-24)16-11-28-32(3)13-16)14-6-7-19-15(8-14)10-29-34(19)5/h6-13H,1-5H3,(H,27,30).
What are the key properties of N,N,6-trimethyl-1-(1-methylindazol-5-yl)-2-(1-methylpyrazol-4-yl)-7-oxo-3H-pyrrolo[3,2-f][1,7]naphthyridine-8-carboxamide?
N,N,6-trimethyl-1-(1-methylindazol-5-yl)-2-(1-methylpyrazol-4-yl)-7-oxo-3H-pyrrolo[3,2-f][1,7]naphthyridine-8-carboxamide has a molecular weight of 480.53 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,6-trimethyl-1-(1-methylindazol-5-yl)-2-(1-methylpyrazol-4-yl)-7-oxo-3H-pyrrolo[3,2-f][1,7]naphthyridine-8-carboxamide is sourced from PubChem (CID 162426595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).