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

C18H16FN5O2 — CID 135344329

IUPACcis-(1S,2S)-N-[8-amino-6-(4-methoxy-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide
SMILESCOc1ccncc1-c1cc2cc(NC(=O)[C@@H]3C[C@@H]3F)ncc2c(N)n1
InChIInChI=1S/C18H16FN5O2/c1-26-15-2-3-21-7-12(15)14-4-9-5-16(22-8-11(9)17(20)23-14)24-18(25)10-6-13(10)19/h2-5,7-8,10,13H,6H2,1H3,(H2,20,23)(H,22,24,25)/t10-,13+/m1/s1
InChIKeyLNWXQWIPQJOEPD-MFKMUULPSA-N
MW353.36 g/mol
LogP2.58
Rot. Bonds4

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

cis-(1S,2S)-N-[8-amino-6-(4-methoxy-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide (PubChem CID 135344329) has the molecular formula C18H16FN5O2 and a molecular weight of 353.36 g/mol. Its IUPAC name is cis-(1S,2S)-N-[8-amino-6-(4-methoxy-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,2S)-N-[8-amino-6-(4-methoxy-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide
PubChem CID135344329
Molecular FormulaC18H16FN5O2
Molecular Weight353.36 g/mol
Exact Mass353.13
IUPAC Namecis-(1S,2S)-N-[8-amino-6-(4-methoxy-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide
SMILESCOc1ccncc1-c1cc2cc(NC(=O)[C@@H]3C[C@@H]3F)ncc2c(N)n1
InChIInChI=1S/C18H16FN5O2/c1-26-15-2-3-21-7-12(15)14-4-9-5-16(22-8-11(9)17(20)23-14)24-18(25)10-6-13(10)19/h2-5,7-8,10,13H,6H2,1H3,(H2,20,23)(H,22,24,25)/t10-,13+/m1/s1
InChIKeyLNWXQWIPQJOEPD-MFKMUULPSA-N
XLogP2.58
TPSA103.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.36
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of cis-(1S,2S)-N-[8-amino-6-(4-methoxy-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide?
The IUPAC name of cis-(1S,2S)-N-[8-amino-6-(4-methoxy-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide (CID 135344329) is cis-(1S,2S)-N-[8-amino-6-(4-methoxy-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1S,2S)-N-[8-amino-6-(4-methoxy-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide?
The canonical SMILES for cis-(1S,2S)-N-[8-amino-6-(4-methoxy-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide is COc1ccncc1-c1cc2cc(NC(=O)[C@@H]3C[C@@H]3F)ncc2c(N)n1.
What is the InChIKey of cis-(1S,2S)-N-[8-amino-6-(4-methoxy-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide?
The InChIKey is LNWXQWIPQJOEPD-MFKMUULPSA-N. The full InChI is InChI=1S/C18H16FN5O2/c1-26-15-2-3-21-7-12(15)14-4-9-5-16(22-8-11(9)17(20)23-14)24-18(25)10-6-13(10)19/h2-5,7-8,10,13H,6H2,1H3,(H2,20,23)(H,22,24,25)/t10-,13+/m1/s1.
What are the key properties of cis-(1S,2S)-N-[8-amino-6-(4-methoxy-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide?
cis-(1S,2S)-N-[8-amino-6-(4-methoxy-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide has a molecular weight of 353.36 g/mol, XLogP of 2.58, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2S)-N-[8-amino-6-(4-methoxy-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide is sourced from PubChem (CID 135344329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).