(2S)-2-fluoro-N-[7-[4-methyl-6-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]-3-pyridinyl]-2,6-naphthyridin-3-yl]cyclopropane-1-carboxamide

C20H16F4N4O2 — CID 71128099

IUPAC(2S)-2-fluoro-N-[7-[4-methyl-6-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]-3-pyridinyl]-2,6-naphthyridin-3-yl]cyclopropane-1-carboxamide
SMILESCc1cc([C@@H](O)C(F)(F)F)ncc1-c1cc2cnc(NC(=O)C3C[C@@H]3F)cc2cn1
InChIInChI=1S/C20H16F4N4O2/c1-9-2-16(18(29)20(22,23)24)26-8-13(9)15-3-10-7-27-17(4-11(10)6-25-15)28-19(30)12-5-14(12)21/h2-4,6-8,12,14,18,29H,5H2,1H3,(H,27,28,30)/t12?,14-,18+/m0/s1
InChIKeyNYHFSUBBKRBHFJ-AHLLLDNBSA-N
MW420.37 g/mol
LogP3.89
Rot. Bonds4

About (2S)-2-fluoro-N-[7-[4-methyl-6-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]-3-pyridinyl]-2,6-naphthyridin-3-yl]cyclopropane-1-carboxamide

(2S)-2-fluoro-N-[7-[4-methyl-6-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]-3-pyridinyl]-2,6-naphthyridin-3-yl]cyclopropane-1-carboxamide (PubChem CID 71128099) has the molecular formula C20H16F4N4O2 and a molecular weight of 420.37 g/mol. Its IUPAC name is (2S)-2-fluoro-N-[7-[4-methyl-6-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]-3-pyridinyl]-2,6-naphthyridin-3-yl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name(2S)-2-fluoro-N-[7-[4-methyl-6-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]-3-pyridinyl]-2,6-naphthyridin-3-yl]cyclopropane-1-carboxamide
PubChem CID71128099
Molecular FormulaC20H16F4N4O2
Molecular Weight420.37 g/mol
Exact Mass420.12
IUPAC Name(2S)-2-fluoro-N-[7-[4-methyl-6-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]-3-pyridinyl]-2,6-naphthyridin-3-yl]cyclopropane-1-carboxamide
SMILESCc1cc([C@@H](O)C(F)(F)F)ncc1-c1cc2cnc(NC(=O)C3C[C@@H]3F)cc2cn1
InChIInChI=1S/C20H16F4N4O2/c1-9-2-16(18(29)20(22,23)24)26-8-13(9)15-3-10-7-27-17(4-11(10)6-25-15)28-19(30)12-5-14(12)21/h2-4,6-8,12,14,18,29H,5H2,1H3,(H,27,28,30)/t12?,14-,18+/m0/s1
InChIKeyNYHFSUBBKRBHFJ-AHLLLDNBSA-N
XLogP3.89
TPSA88.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.37
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2S)-2-fluoro-N-[7-[4-methyl-6-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]-3-pyridinyl]-2,6-naphthyridin-3-yl]cyclopropane-1-carboxamide with MolForge

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Related Compounds

cis-(1S,2S)-2-fluoro-N-[1-methyl-3-[4-methyl-6-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]-3-pyridinyl]-2-oxo-1,6-naphthyridin-7-yl]cyclopropane-1-carboxamide
CID 166123711
2-methyl-N-[7-[4-methyl-6-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]-3-pyridinyl]-2,6-naphthyridin-3-yl]propanamide
CID 71115158
N-[7-[6-[(1S)-1-hydroxypropyl]-4-methyl-3-pyridinyl]-2,6-naphthyridin-3-yl]cyclopropanecarboxamide
CID 171555163
2-fluoro-N-[7-[4-methyl-2-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]-3-pyridinyl]isoquinolin-3-yl]cyclopropane-1-carboxamide
CID 118912563
N-[1-methyl-3-[4-methyl-6-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]-3-pyridinyl]-2-oxo-1,6-naphthyridin-7-yl]cyclopropanecarboxamide
CID 166123608
cis-(1R,2R)-2-fluoro-N-[3-[6-[(1S)-1-hydroxyethyl]-4-methyl-3-pyridinyl]-1-methyl-2-oxo-1,6-naphthyridin-7-yl]cyclopropane-1-carboxamide
CID 166123775
cis-(1S,2S)-2-fluoro-N-[3-[6-[(1R)-1-hydroxybutyl]-4-methyl-3-pyridinyl]-1,6-naphthyridin-7-yl]cyclopropane-1-carboxamide
CID 171555547
cis-(1S,2S)-2-fluoro-N-[3-[6-[(1S)-1-hydroxybutyl]-4-methyl-3-pyridinyl]-2-methyl-1,6-naphthyridin-7-yl]cyclopropane-1-carboxamide
CID 171555797
N-[7-[6-(2-aminopropan-2-yl)-4-methyl-3-pyridinyl]isoquinolin-3-yl]-2-fluorocyclopropane-1-carboxamide
CID 123980891
N-[1-fluoro-7-[4-methyl-6-(2,2,2-trifluoro-1-hydroxyethyl)-3-pyridinyl]isoquinolin-3-yl]cyclopropanecarboxamide
CID 140636847
cis-(1S,2S)-2-fluoro-N-[4-[6-[(1R)-1-hydroxypropyl]-4-methyl-3-pyridinyl]-[1,2,4]triazolo[1,5-a][1,6]naphthyridin-8-yl]cyclopropane-1-carboxamide
CID 170967871
2-fluoro-N-[7-[4-methyl-6-(3-methyl-3-prop-1-en-2-ylhex-4-en-2-yl)-3-pyridinyl]isoquinolin-3-yl]cyclopropane-1-carboxamide
CID 123415691

Frequently Asked Questions

What is the IUPAC name of (2S)-2-fluoro-N-[7-[4-methyl-6-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]-3-pyridinyl]-2,6-naphthyridin-3-yl]cyclopropane-1-carboxamide?
The IUPAC name of (2S)-2-fluoro-N-[7-[4-methyl-6-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]-3-pyridinyl]-2,6-naphthyridin-3-yl]cyclopropane-1-carboxamide (CID 71128099) is (2S)-2-fluoro-N-[7-[4-methyl-6-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]-3-pyridinyl]-2,6-naphthyridin-3-yl]cyclopropane-1-carboxamide.
What is the SMILES notation for (2S)-2-fluoro-N-[7-[4-methyl-6-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]-3-pyridinyl]-2,6-naphthyridin-3-yl]cyclopropane-1-carboxamide?
The canonical SMILES for (2S)-2-fluoro-N-[7-[4-methyl-6-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]-3-pyridinyl]-2,6-naphthyridin-3-yl]cyclopropane-1-carboxamide is Cc1cc([C@@H](O)C(F)(F)F)ncc1-c1cc2cnc(NC(=O)C3C[C@@H]3F)cc2cn1.
What is the InChIKey of (2S)-2-fluoro-N-[7-[4-methyl-6-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]-3-pyridinyl]-2,6-naphthyridin-3-yl]cyclopropane-1-carboxamide?
The InChIKey is NYHFSUBBKRBHFJ-AHLLLDNBSA-N. The full InChI is InChI=1S/C20H16F4N4O2/c1-9-2-16(18(29)20(22,23)24)26-8-13(9)15-3-10-7-27-17(4-11(10)6-25-15)28-19(30)12-5-14(12)21/h2-4,6-8,12,14,18,29H,5H2,1H3,(H,27,28,30)/t12?,14-,18+/m0/s1.
What are the key properties of (2S)-2-fluoro-N-[7-[4-methyl-6-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]-3-pyridinyl]-2,6-naphthyridin-3-yl]cyclopropane-1-carboxamide?
(2S)-2-fluoro-N-[7-[4-methyl-6-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]-3-pyridinyl]-2,6-naphthyridin-3-yl]cyclopropane-1-carboxamide has a molecular weight of 420.37 g/mol, XLogP of 3.89, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-fluoro-N-[7-[4-methyl-6-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]-3-pyridinyl]-2,6-naphthyridin-3-yl]cyclopropane-1-carboxamide is sourced from PubChem (CID 71128099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).