cis-(1S,2S)-N-[8-amino-6-(6-methyl-2-oxo-1,3-dihydroindol-5-yl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide

C21H18FN5O2 — CID 135345054

IUPACcis-(1S,2S)-N-[8-amino-6-(6-methyl-2-oxo-1,3-dihydroindol-5-yl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide
SMILESCc1cc2c(cc1-c1cc3cc(NC(=O)[C@@H]4C[C@@H]4F)ncc3c(N)n1)CC(=O)N2
InChIInChI=1S/C21H18FN5O2/c1-9-2-16-11(6-19(28)25-16)3-12(9)17-4-10-5-18(24-8-14(10)20(23)26-17)27-21(29)13-7-15(13)22/h2-5,8,13,15H,6-7H2,1H3,(H2,23,26)(H,25,28)(H,24,27,29)/t13-,15+/m1/s1
InChIKeyAWANJSXRJJSGQV-HIFRSBDPSA-N
MW391.41 g/mol
LogP2.98
Rot. Bonds3

About cis-(1S,2S)-N-[8-amino-6-(6-methyl-2-oxo-1,3-dihydroindol-5-yl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide

cis-(1S,2S)-N-[8-amino-6-(6-methyl-2-oxo-1,3-dihydroindol-5-yl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide (PubChem CID 135345054) has the molecular formula C21H18FN5O2 and a molecular weight of 391.41 g/mol. Its IUPAC name is cis-(1S,2S)-N-[8-amino-6-(6-methyl-2-oxo-1,3-dihydroindol-5-yl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,2S)-N-[8-amino-6-(6-methyl-2-oxo-1,3-dihydroindol-5-yl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide
PubChem CID135345054
Molecular FormulaC21H18FN5O2
Molecular Weight391.41 g/mol
Exact Mass391.14
IUPAC Namecis-(1S,2S)-N-[8-amino-6-(6-methyl-2-oxo-1,3-dihydroindol-5-yl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide
SMILESCc1cc2c(cc1-c1cc3cc(NC(=O)[C@@H]4C[C@@H]4F)ncc3c(N)n1)CC(=O)N2
InChIInChI=1S/C21H18FN5O2/c1-9-2-16-11(6-19(28)25-16)3-12(9)17-4-10-5-18(24-8-14(10)20(23)26-17)27-21(29)13-7-15(13)22/h2-5,8,13,15H,6-7H2,1H3,(H2,23,26)(H,25,28)(H,24,27,29)/t13-,15+/m1/s1
InChIKeyAWANJSXRJJSGQV-HIFRSBDPSA-N
XLogP2.98
TPSA110.00 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.41
LogP ≤ 52.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze cis-(1S,2S)-N-[8-amino-6-(6-methyl-2-oxo-1,3-dihydroindol-5-yl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-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 cis-(1S,2S)-N-[8-amino-6-(6-methyl-2-oxo-1,3-dihydroindol-5-yl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide?
The IUPAC name of cis-(1S,2S)-N-[8-amino-6-(6-methyl-2-oxo-1,3-dihydroindol-5-yl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide (CID 135345054) is cis-(1S,2S)-N-[8-amino-6-(6-methyl-2-oxo-1,3-dihydroindol-5-yl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1S,2S)-N-[8-amino-6-(6-methyl-2-oxo-1,3-dihydroindol-5-yl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide?
The canonical SMILES for cis-(1S,2S)-N-[8-amino-6-(6-methyl-2-oxo-1,3-dihydroindol-5-yl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide is Cc1cc2c(cc1-c1cc3cc(NC(=O)[C@@H]4C[C@@H]4F)ncc3c(N)n1)CC(=O)N2.
What is the InChIKey of cis-(1S,2S)-N-[8-amino-6-(6-methyl-2-oxo-1,3-dihydroindol-5-yl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide?
The InChIKey is AWANJSXRJJSGQV-HIFRSBDPSA-N. The full InChI is InChI=1S/C21H18FN5O2/c1-9-2-16-11(6-19(28)25-16)3-12(9)17-4-10-5-18(24-8-14(10)20(23)26-17)27-21(29)13-7-15(13)22/h2-5,8,13,15H,6-7H2,1H3,(H2,23,26)(H,25,28)(H,24,27,29)/t13-,15+/m1/s1.
What are the key properties of cis-(1S,2S)-N-[8-amino-6-(6-methyl-2-oxo-1,3-dihydroindol-5-yl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide?
cis-(1S,2S)-N-[8-amino-6-(6-methyl-2-oxo-1,3-dihydroindol-5-yl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide has a molecular weight of 391.41 g/mol, XLogP of 2.98, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2S)-N-[8-amino-6-(6-methyl-2-oxo-1,3-dihydroindol-5-yl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide is sourced from PubChem (CID 135345054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).