(3S)-6-[1-amino-6-(1,4,7,13-tetrazatricyclo[8.3.0.03,7]trideca-3,5,10,12-tetraen-12-ylamino)-2,7-naphthyridin-3-yl]-3-hydroxy-3,7-dimethyl-1H-pyrrolo[3,2-b]pyridin-2-one

C26H24N10O2 — CID 139468936

IUPAC(3S)-6-[1-amino-6-(1,4,7,13-tetrazatricyclo[8.3.0.03,7]trideca-3,5,10,12-tetraen-12-ylamino)-2,7-naphthyridin-3-yl]-3-hydroxy-3,7-dimethyl-1H-pyrrolo[3,2-b]pyridin-2-one
SMILESCc1c(-c2cc3cc(Nc4cc5n(n4)Cc4nccn4CC5)ncc3c(N)n2)cnc2c1NC(=O)[C@@]2(C)O
InChIInChI=1S/C26H24N10O2/c1-13-16(10-30-23-22(13)33-25(37)26(23,2)38)18-7-14-8-19(29-11-17(14)24(27)31-18)32-20-9-15-3-5-35-6-4-28-21(35)12-36(15)34-20/h4,6-11,38H,3,5,12H2,1-2H3,(H2,27,31)(H,33,37)(H,29,32,34)/t26-/m0/s1
InChIKeyZFQFLGNOGGYVHQ-SANMLTNESA-N
MW508.55 g/mol
LogP2.48
Rot. Bonds3

About (3S)-6-[1-amino-6-(1,4,7,13-tetrazatricyclo[8.3.0.03,7]trideca-3,5,10,12-tetraen-12-ylamino)-2,7-naphthyridin-3-yl]-3-hydroxy-3,7-dimethyl-1H-pyrrolo[3,2-b]pyridin-2-one

(3S)-6-[1-amino-6-(1,4,7,13-tetrazatricyclo[8.3.0.03,7]trideca-3,5,10,12-tetraen-12-ylamino)-2,7-naphthyridin-3-yl]-3-hydroxy-3,7-dimethyl-1H-pyrrolo[3,2-b]pyridin-2-one (PubChem CID 139468936) has the molecular formula C26H24N10O2 and a molecular weight of 508.55 g/mol. Its IUPAC name is (3S)-6-[1-amino-6-(1,4,7,13-tetrazatricyclo[8.3.0.03,7]trideca-3,5,10,12-tetraen-12-ylamino)-2,7-naphthyridin-3-yl]-3-hydroxy-3,7-dimethyl-1H-pyrrolo[3,2-b]pyridin-2-one.

Molecular Properties

Compound Name(3S)-6-[1-amino-6-(1,4,7,13-tetrazatricyclo[8.3.0.03,7]trideca-3,5,10,12-tetraen-12-ylamino)-2,7-naphthyridin-3-yl]-3-hydroxy-3,7-dimethyl-1H-pyrrolo[3,2-b]pyridin-2-one
PubChem CID139468936
Molecular FormulaC26H24N10O2
Molecular Weight508.55 g/mol
Exact Mass508.21
IUPAC Name(3S)-6-[1-amino-6-(1,4,7,13-tetrazatricyclo[8.3.0.03,7]trideca-3,5,10,12-tetraen-12-ylamino)-2,7-naphthyridin-3-yl]-3-hydroxy-3,7-dimethyl-1H-pyrrolo[3,2-b]pyridin-2-one
SMILESCc1c(-c2cc3cc(Nc4cc5n(n4)Cc4nccn4CC5)ncc3c(N)n2)cnc2c1NC(=O)[C@@]2(C)O
InChIInChI=1S/C26H24N10O2/c1-13-16(10-30-23-22(13)33-25(37)26(23,2)38)18-7-14-8-19(29-11-17(14)24(27)31-18)32-20-9-15-3-5-35-6-4-28-21(35)12-36(15)34-20/h4,6-11,38H,3,5,12H2,1-2H3,(H2,27,31)(H,33,37)(H,29,32,34)/t26-/m0/s1
InChIKeyZFQFLGNOGGYVHQ-SANMLTNESA-N
XLogP2.48
TPSA161.69 Ų
H-Bond Donors4
H-Bond Acceptors11
Rotatable Bonds3
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.55
LogP ≤ 52.48
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1011

Analyze (3S)-6-[1-amino-6-(1,4,7,13-tetrazatricyclo[8.3.0.03,7]trideca-3,5,10,12-tetraen-12-ylamino)-2,7-naphthyridin-3-yl]-3-hydroxy-3,7-dimethyl-1H-pyrrolo[3,2-b]pyridin-2-one 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 (3S)-6-[1-amino-6-(1,4,7,13-tetrazatricyclo[8.3.0.03,7]trideca-3,5,10,12-tetraen-12-ylamino)-2,7-naphthyridin-3-yl]-3-hydroxy-3,7-dimethyl-1H-pyrrolo[3,2-b]pyridin-2-one?
The IUPAC name of (3S)-6-[1-amino-6-(1,4,7,13-tetrazatricyclo[8.3.0.03,7]trideca-3,5,10,12-tetraen-12-ylamino)-2,7-naphthyridin-3-yl]-3-hydroxy-3,7-dimethyl-1H-pyrrolo[3,2-b]pyridin-2-one (CID 139468936) is (3S)-6-[1-amino-6-(1,4,7,13-tetrazatricyclo[8.3.0.03,7]trideca-3,5,10,12-tetraen-12-ylamino)-2,7-naphthyridin-3-yl]-3-hydroxy-3,7-dimethyl-1H-pyrrolo[3,2-b]pyridin-2-one.
What is the SMILES notation for (3S)-6-[1-amino-6-(1,4,7,13-tetrazatricyclo[8.3.0.03,7]trideca-3,5,10,12-tetraen-12-ylamino)-2,7-naphthyridin-3-yl]-3-hydroxy-3,7-dimethyl-1H-pyrrolo[3,2-b]pyridin-2-one?
The canonical SMILES for (3S)-6-[1-amino-6-(1,4,7,13-tetrazatricyclo[8.3.0.03,7]trideca-3,5,10,12-tetraen-12-ylamino)-2,7-naphthyridin-3-yl]-3-hydroxy-3,7-dimethyl-1H-pyrrolo[3,2-b]pyridin-2-one is Cc1c(-c2cc3cc(Nc4cc5n(n4)Cc4nccn4CC5)ncc3c(N)n2)cnc2c1NC(=O)[C@@]2(C)O.
What is the InChIKey of (3S)-6-[1-amino-6-(1,4,7,13-tetrazatricyclo[8.3.0.03,7]trideca-3,5,10,12-tetraen-12-ylamino)-2,7-naphthyridin-3-yl]-3-hydroxy-3,7-dimethyl-1H-pyrrolo[3,2-b]pyridin-2-one?
The InChIKey is ZFQFLGNOGGYVHQ-SANMLTNESA-N. The full InChI is InChI=1S/C26H24N10O2/c1-13-16(10-30-23-22(13)33-25(37)26(23,2)38)18-7-14-8-19(29-11-17(14)24(27)31-18)32-20-9-15-3-5-35-6-4-28-21(35)12-36(15)34-20/h4,6-11,38H,3,5,12H2,1-2H3,(H2,27,31)(H,33,37)(H,29,32,34)/t26-/m0/s1.
What are the key properties of (3S)-6-[1-amino-6-(1,4,7,13-tetrazatricyclo[8.3.0.03,7]trideca-3,5,10,12-tetraen-12-ylamino)-2,7-naphthyridin-3-yl]-3-hydroxy-3,7-dimethyl-1H-pyrrolo[3,2-b]pyridin-2-one?
(3S)-6-[1-amino-6-(1,4,7,13-tetrazatricyclo[8.3.0.03,7]trideca-3,5,10,12-tetraen-12-ylamino)-2,7-naphthyridin-3-yl]-3-hydroxy-3,7-dimethyl-1H-pyrrolo[3,2-b]pyridin-2-one has a molecular weight of 508.55 g/mol, XLogP of 2.48, 3 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-6-[1-amino-6-(1,4,7,13-tetrazatricyclo[8.3.0.03,7]trideca-3,5,10,12-tetraen-12-ylamino)-2,7-naphthyridin-3-yl]-3-hydroxy-3,7-dimethyl-1H-pyrrolo[3,2-b]pyridin-2-one is sourced from PubChem (CID 139468936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).