N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-(1-ethylsulfonylpyrazol-4-yl)cyclopropane-1-carboxamide

C23H23N7O3S — CID 135344682

IUPACN-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-(1-ethylsulfonylpyrazol-4-yl)cyclopropane-1-carboxamide
SMILESCCS(=O)(=O)n1cc(C2CC2C(=O)Nc2cc3cc(-c4cnccc4C)nc(N)c3cn2)cn1
InChIInChI=1S/C23H23N7O3S/c1-3-34(32,33)30-12-15(9-27-30)16-8-17(16)23(31)29-21-7-14-6-20(18-10-25-5-4-13(18)2)28-22(24)19(14)11-26-21/h4-7,9-12,16-17H,3,8H2,1-2H3,(H2,24,28)(H,26,29,31)
InChIKeyNXFLJEJMNUQHRC-UHFFFAOYSA-N
MW477.55 g/mol
LogP2.72
Rot. Bonds6

About N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-(1-ethylsulfonylpyrazol-4-yl)cyclopropane-1-carboxamide

N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-(1-ethylsulfonylpyrazol-4-yl)cyclopropane-1-carboxamide (PubChem CID 135344682) has the molecular formula C23H23N7O3S and a molecular weight of 477.55 g/mol. Its IUPAC name is N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-(1-ethylsulfonylpyrazol-4-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-(1-ethylsulfonylpyrazol-4-yl)cyclopropane-1-carboxamide
PubChem CID135344682
Molecular FormulaC23H23N7O3S
Molecular Weight477.55 g/mol
Exact Mass477.16
IUPAC NameN-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-(1-ethylsulfonylpyrazol-4-yl)cyclopropane-1-carboxamide
SMILESCCS(=O)(=O)n1cc(C2CC2C(=O)Nc2cc3cc(-c4cnccc4C)nc(N)c3cn2)cn1
InChIInChI=1S/C23H23N7O3S/c1-3-34(32,33)30-12-15(9-27-30)16-8-17(16)23(31)29-21-7-14-6-20(18-10-25-5-4-13(18)2)28-22(24)19(14)11-26-21/h4-7,9-12,16-17H,3,8H2,1-2H3,(H2,24,28)(H,26,29,31)
InChIKeyNXFLJEJMNUQHRC-UHFFFAOYSA-N
XLogP2.72
TPSA145.75 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.55
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-(1-ethylsulfonylpyrazol-4-yl)cyclopropane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-(1-ethylsulfonylpyrazol-4-yl)cyclopropane-1-carboxamide?
The IUPAC name of N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-(1-ethylsulfonylpyrazol-4-yl)cyclopropane-1-carboxamide (CID 135344682) is N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-(1-ethylsulfonylpyrazol-4-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-(1-ethylsulfonylpyrazol-4-yl)cyclopropane-1-carboxamide?
The canonical SMILES for N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-(1-ethylsulfonylpyrazol-4-yl)cyclopropane-1-carboxamide is CCS(=O)(=O)n1cc(C2CC2C(=O)Nc2cc3cc(-c4cnccc4C)nc(N)c3cn2)cn1.
What is the InChIKey of N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-(1-ethylsulfonylpyrazol-4-yl)cyclopropane-1-carboxamide?
The InChIKey is NXFLJEJMNUQHRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N7O3S/c1-3-34(32,33)30-12-15(9-27-30)16-8-17(16)23(31)29-21-7-14-6-20(18-10-25-5-4-13(18)2)28-22(24)19(14)11-26-21/h4-7,9-12,16-17H,3,8H2,1-2H3,(H2,24,28)(H,26,29,31).
What are the key properties of N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-(1-ethylsulfonylpyrazol-4-yl)cyclopropane-1-carboxamide?
N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-(1-ethylsulfonylpyrazol-4-yl)cyclopropane-1-carboxamide has a molecular weight of 477.55 g/mol, XLogP of 2.72, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-(1-ethylsulfonylpyrazol-4-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 135344682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).