(2S,3R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-5-methylsulfonyl-5-azaspiro[2.4]heptane-2-carboxamide

C23H25N5O3S — CID 157415108

IUPAC(2S,3R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-5-methylsulfonyl-5-azaspiro[2.4]heptane-2-carboxamide
SMILESCc1ccccc1-c1cc2cc(NC(=O)[C@H]3C[C@@]34CCN(S(C)(=O)=O)C4)ncc2c(N)n1
InChIInChI=1S/C23H25N5O3S/c1-14-5-3-4-6-16(14)19-9-15-10-20(25-12-17(15)21(24)26-19)27-22(29)18-11-23(18)7-8-28(13-23)32(2,30)31/h3-6,9-10,12,18H,7-8,11,13H2,1-2H3,(H2,24,26)(H,25,27,29)/t18-,23-/m1/s1
InChIKeyOOWVEIDSNLQNTO-WZONZLPQSA-N
MW451.55 g/mol
LogP2.80
Rot. Bonds4

About (2S,3R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-5-methylsulfonyl-5-azaspiro[2.4]heptane-2-carboxamide

(2S,3R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-5-methylsulfonyl-5-azaspiro[2.4]heptane-2-carboxamide (PubChem CID 157415108) has the molecular formula C23H25N5O3S and a molecular weight of 451.55 g/mol. Its IUPAC name is (2S,3R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-5-methylsulfonyl-5-azaspiro[2.4]heptane-2-carboxamide.

Molecular Properties

Compound Name(2S,3R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-5-methylsulfonyl-5-azaspiro[2.4]heptane-2-carboxamide
PubChem CID157415108
Molecular FormulaC23H25N5O3S
Molecular Weight451.55 g/mol
Exact Mass451.17
IUPAC Name(2S,3R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-5-methylsulfonyl-5-azaspiro[2.4]heptane-2-carboxamide
SMILESCc1ccccc1-c1cc2cc(NC(=O)[C@H]3C[C@@]34CCN(S(C)(=O)=O)C4)ncc2c(N)n1
InChIInChI=1S/C23H25N5O3S/c1-14-5-3-4-6-16(14)19-9-15-10-20(25-12-17(15)21(24)26-19)27-22(29)18-11-23(18)7-8-28(13-23)32(2,30)31/h3-6,9-10,12,18H,7-8,11,13H2,1-2H3,(H2,24,26)(H,25,27,29)/t18-,23-/m1/s1
InChIKeyOOWVEIDSNLQNTO-WZONZLPQSA-N
XLogP2.80
TPSA118.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.55
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (2S,3R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-5-methylsulfonyl-5-azaspiro[2.4]heptane-2-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

(2R,3R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-5-oxo-6-azaspiro[2.5]octane-2-carboxamide
CID 158742081
N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]spiro[2.2]pentane-2-carboxamide
CID 135344663
cis-(1R,2S)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(oxan-4-yl)cyclopropane-1-carboxamide
CID 158215119
(1R,5S)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-3-morpholin-4-ylbicyclo[3.1.0]hexane-6-carboxamide
CID 158533102
(2R,3R)-N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-6-oxo-7-azaspiro[2.6]nonane-2-carboxamide
CID 139468767
trans-(1R,2R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-pyridin-3-ylcyclopropane-1-carboxamide
CID 158709120
N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-5-(3-cyano-2-pyridinyl)-5-azaspiro[2.3]hexane-2-carboxamide
CID 135345331
trans-(1R,2R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(2-oxo-1,3-oxazolidin-5-yl)cyclopropane-1-carboxamide
CID 160702404
(1R,2R,3R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(cyanomethyl)-3-methylcyclopropane-1-carboxamide
CID 158074691
tert-butyl (2S,3S)-2-[(8-amino-6-chloro-2,7-naphthyridin-3-yl)carbamoyl]-5-azaspiro[2.4]heptane-5-carboxylate
CID 139468916
N-[8-amino-6-(3-amino-2-methylphenyl)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
CID 142447326
N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-3-oxabicyclo[3.1.0]hexane-6-carboxamide
CID 135345211

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-5-methylsulfonyl-5-azaspiro[2.4]heptane-2-carboxamide?
The IUPAC name of (2S,3R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-5-methylsulfonyl-5-azaspiro[2.4]heptane-2-carboxamide (CID 157415108) is (2S,3R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-5-methylsulfonyl-5-azaspiro[2.4]heptane-2-carboxamide.
What is the SMILES notation for (2S,3R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-5-methylsulfonyl-5-azaspiro[2.4]heptane-2-carboxamide?
The canonical SMILES for (2S,3R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-5-methylsulfonyl-5-azaspiro[2.4]heptane-2-carboxamide is Cc1ccccc1-c1cc2cc(NC(=O)[C@H]3C[C@@]34CCN(S(C)(=O)=O)C4)ncc2c(N)n1.
What is the InChIKey of (2S,3R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-5-methylsulfonyl-5-azaspiro[2.4]heptane-2-carboxamide?
The InChIKey is OOWVEIDSNLQNTO-WZONZLPQSA-N. The full InChI is InChI=1S/C23H25N5O3S/c1-14-5-3-4-6-16(14)19-9-15-10-20(25-12-17(15)21(24)26-19)27-22(29)18-11-23(18)7-8-28(13-23)32(2,30)31/h3-6,9-10,12,18H,7-8,11,13H2,1-2H3,(H2,24,26)(H,25,27,29)/t18-,23-/m1/s1.
What are the key properties of (2S,3R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-5-methylsulfonyl-5-azaspiro[2.4]heptane-2-carboxamide?
(2S,3R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-5-methylsulfonyl-5-azaspiro[2.4]heptane-2-carboxamide has a molecular weight of 451.55 g/mol, XLogP of 2.80, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-5-methylsulfonyl-5-azaspiro[2.4]heptane-2-carboxamide is sourced from PubChem (CID 157415108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).