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

C20H20FN5O2 — CID 135344442

IUPACcis-(1S,2S)-N-[8-amino-6-(4-ethyl-6-methoxy-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide
SMILESCCc1cc(OC)ncc1-c1cc2cc(NC(=O)[C@@H]3C[C@@H]3F)ncc2c(N)n1
InChIInChI=1S/C20H20FN5O2/c1-3-10-6-18(28-2)24-8-13(10)16-4-11-5-17(23-9-14(11)19(22)25-16)26-20(27)12-7-15(12)21/h4-6,8-9,12,15H,3,7H2,1-2H3,(H2,22,25)(H,23,26,27)/t12-,15+/m1/s1
InChIKeyRXWBSTGHFPCOTO-DOMZBBRYSA-N
MW381.41 g/mol
LogP3.14
Rot. Bonds5

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

cis-(1S,2S)-N-[8-amino-6-(4-ethyl-6-methoxy-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide (PubChem CID 135344442) has the molecular formula C20H20FN5O2 and a molecular weight of 381.41 g/mol. Its IUPAC name is cis-(1S,2S)-N-[8-amino-6-(4-ethyl-6-methoxy-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,2S)-N-[8-amino-6-(4-ethyl-6-methoxy-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide
PubChem CID135344442
Molecular FormulaC20H20FN5O2
Molecular Weight381.41 g/mol
Exact Mass381.16
IUPAC Namecis-(1S,2S)-N-[8-amino-6-(4-ethyl-6-methoxy-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide
SMILESCCc1cc(OC)ncc1-c1cc2cc(NC(=O)[C@@H]3C[C@@H]3F)ncc2c(N)n1
InChIInChI=1S/C20H20FN5O2/c1-3-10-6-18(28-2)24-8-13(10)16-4-11-5-17(23-9-14(11)19(22)25-16)26-20(27)12-7-15(12)21/h4-6,8-9,12,15H,3,7H2,1-2H3,(H2,22,25)(H,23,26,27)/t12-,15+/m1/s1
InChIKeyRXWBSTGHFPCOTO-DOMZBBRYSA-N
XLogP3.14
TPSA103.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.41
LogP ≤ 53.14
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-ethyl-6-methoxy-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide?
The IUPAC name of cis-(1S,2S)-N-[8-amino-6-(4-ethyl-6-methoxy-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide (CID 135344442) is cis-(1S,2S)-N-[8-amino-6-(4-ethyl-6-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-ethyl-6-methoxy-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide?
The canonical SMILES for cis-(1S,2S)-N-[8-amino-6-(4-ethyl-6-methoxy-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide is CCc1cc(OC)ncc1-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-ethyl-6-methoxy-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide?
The InChIKey is RXWBSTGHFPCOTO-DOMZBBRYSA-N. The full InChI is InChI=1S/C20H20FN5O2/c1-3-10-6-18(28-2)24-8-13(10)16-4-11-5-17(23-9-14(11)19(22)25-16)26-20(27)12-7-15(12)21/h4-6,8-9,12,15H,3,7H2,1-2H3,(H2,22,25)(H,23,26,27)/t12-,15+/m1/s1.
What are the key properties of cis-(1S,2S)-N-[8-amino-6-(4-ethyl-6-methoxy-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide?
cis-(1S,2S)-N-[8-amino-6-(4-ethyl-6-methoxy-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide has a molecular weight of 381.41 g/mol, XLogP of 3.14, 5 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-ethyl-6-methoxy-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide is sourced from PubChem (CID 135344442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).