cis-(1R,2R)-N-[8-amino-6-(2-methoxy-5-methyl-4-pyridinyl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide

C19H18FN5O2 — CID 139468859

IUPACcis-(1R,2R)-N-[8-amino-6-(2-methoxy-5-methyl-4-pyridinyl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide
SMILESCOc1cc(-c2cc3cc(NC(=O)[C@H]4C[C@H]4F)ncc3c(N)n2)c(C)cn1
InChIInChI=1S/C19H18FN5O2/c1-9-7-23-17(27-2)6-11(9)15-3-10-4-16(22-8-13(10)18(21)24-15)25-19(26)12-5-14(12)20/h3-4,6-8,12,14H,5H2,1-2H3,(H2,21,24)(H,22,25,26)/t12-,14+/m0/s1
InChIKeyTXLMWJAHPGCXGO-GXTWGEPZSA-N
MW367.38 g/mol
LogP2.89
Rot. Bonds4

About cis-(1R,2R)-N-[8-amino-6-(2-methoxy-5-methyl-4-pyridinyl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide

cis-(1R,2R)-N-[8-amino-6-(2-methoxy-5-methyl-4-pyridinyl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide (PubChem CID 139468859) has the molecular formula C19H18FN5O2 and a molecular weight of 367.38 g/mol. Its IUPAC name is cis-(1R,2R)-N-[8-amino-6-(2-methoxy-5-methyl-4-pyridinyl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1R,2R)-N-[8-amino-6-(2-methoxy-5-methyl-4-pyridinyl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide
PubChem CID139468859
Molecular FormulaC19H18FN5O2
Molecular Weight367.38 g/mol
Exact Mass367.14
IUPAC Namecis-(1R,2R)-N-[8-amino-6-(2-methoxy-5-methyl-4-pyridinyl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide
SMILESCOc1cc(-c2cc3cc(NC(=O)[C@H]4C[C@H]4F)ncc3c(N)n2)c(C)cn1
InChIInChI=1S/C19H18FN5O2/c1-9-7-23-17(27-2)6-11(9)15-3-10-4-16(22-8-13(10)18(21)24-15)25-19(26)12-5-14(12)20/h3-4,6-8,12,14H,5H2,1-2H3,(H2,21,24)(H,22,25,26)/t12-,14+/m0/s1
InChIKeyTXLMWJAHPGCXGO-GXTWGEPZSA-N
XLogP2.89
TPSA103.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.38
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze cis-(1R,2R)-N-[8-amino-6-(2-methoxy-5-methyl-4-pyridinyl)-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-(1R,2R)-N-[8-amino-6-(2-methoxy-5-methyl-4-pyridinyl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide?
The IUPAC name of cis-(1R,2R)-N-[8-amino-6-(2-methoxy-5-methyl-4-pyridinyl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide (CID 139468859) is cis-(1R,2R)-N-[8-amino-6-(2-methoxy-5-methyl-4-pyridinyl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1R,2R)-N-[8-amino-6-(2-methoxy-5-methyl-4-pyridinyl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide?
The canonical SMILES for cis-(1R,2R)-N-[8-amino-6-(2-methoxy-5-methyl-4-pyridinyl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide is COc1cc(-c2cc3cc(NC(=O)[C@H]4C[C@H]4F)ncc3c(N)n2)c(C)cn1.
What is the InChIKey of cis-(1R,2R)-N-[8-amino-6-(2-methoxy-5-methyl-4-pyridinyl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide?
The InChIKey is TXLMWJAHPGCXGO-GXTWGEPZSA-N. The full InChI is InChI=1S/C19H18FN5O2/c1-9-7-23-17(27-2)6-11(9)15-3-10-4-16(22-8-13(10)18(21)24-15)25-19(26)12-5-14(12)20/h3-4,6-8,12,14H,5H2,1-2H3,(H2,21,24)(H,22,25,26)/t12-,14+/m0/s1.
What are the key properties of cis-(1R,2R)-N-[8-amino-6-(2-methoxy-5-methyl-4-pyridinyl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide?
cis-(1R,2R)-N-[8-amino-6-(2-methoxy-5-methyl-4-pyridinyl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide has a molecular weight of 367.38 g/mol, XLogP of 2.89, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2R)-N-[8-amino-6-(2-methoxy-5-methyl-4-pyridinyl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide is sourced from PubChem (CID 139468859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).