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

C21H21FN4O2 — CID 71115368

IUPACcis-(1S,2S)-2-fluoro-N-[7-[6-(2-hydroxypropan-2-yl)-4-methyl-3-pyridinyl]-2,6-naphthyridin-3-yl]cyclopropane-1-carboxamide
SMILESCc1cc(C(C)(C)O)ncc1-c1cc2cnc(NC(=O)[C@@H]3C[C@@H]3F)cc2cn1
InChIInChI=1S/C21H21FN4O2/c1-11-4-18(21(2,3)28)24-10-15(11)17-5-12-9-25-19(6-13(12)8-23-17)26-20(27)14-7-16(14)22/h4-6,8-10,14,16,28H,7H2,1-3H3,(H,25,26,27)/t14-,16+/m1/s1
InChIKeyUPKKASKNRGXJTD-ZBFHGGJFSA-N
MW380.42 g/mol
LogP3.52
Rot. Bonds4

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

cis-(1S,2S)-2-fluoro-N-[7-[6-(2-hydroxypropan-2-yl)-4-methyl-3-pyridinyl]-2,6-naphthyridin-3-yl]cyclopropane-1-carboxamide (PubChem CID 71115368) has the molecular formula C21H21FN4O2 and a molecular weight of 380.42 g/mol. Its IUPAC name is cis-(1S,2S)-2-fluoro-N-[7-[6-(2-hydroxypropan-2-yl)-4-methyl-3-pyridinyl]-2,6-naphthyridin-3-yl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,2S)-2-fluoro-N-[7-[6-(2-hydroxypropan-2-yl)-4-methyl-3-pyridinyl]-2,6-naphthyridin-3-yl]cyclopropane-1-carboxamide
PubChem CID71115368
Molecular FormulaC21H21FN4O2
Molecular Weight380.42 g/mol
Exact Mass380.16
IUPAC Namecis-(1S,2S)-2-fluoro-N-[7-[6-(2-hydroxypropan-2-yl)-4-methyl-3-pyridinyl]-2,6-naphthyridin-3-yl]cyclopropane-1-carboxamide
SMILESCc1cc(C(C)(C)O)ncc1-c1cc2cnc(NC(=O)[C@@H]3C[C@@H]3F)cc2cn1
InChIInChI=1S/C21H21FN4O2/c1-11-4-18(21(2,3)28)24-10-15(11)17-5-12-9-25-19(6-13(12)8-23-17)26-20(27)14-7-16(14)22/h4-6,8-10,14,16,28H,7H2,1-3H3,(H,25,26,27)/t14-,16+/m1/s1
InChIKeyUPKKASKNRGXJTD-ZBFHGGJFSA-N
XLogP3.52
TPSA88.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.42
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of cis-(1S,2S)-2-fluoro-N-[7-[6-(2-hydroxypropan-2-yl)-4-methyl-3-pyridinyl]-2,6-naphthyridin-3-yl]cyclopropane-1-carboxamide?
The IUPAC name of cis-(1S,2S)-2-fluoro-N-[7-[6-(2-hydroxypropan-2-yl)-4-methyl-3-pyridinyl]-2,6-naphthyridin-3-yl]cyclopropane-1-carboxamide (CID 71115368) is cis-(1S,2S)-2-fluoro-N-[7-[6-(2-hydroxypropan-2-yl)-4-methyl-3-pyridinyl]-2,6-naphthyridin-3-yl]cyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1S,2S)-2-fluoro-N-[7-[6-(2-hydroxypropan-2-yl)-4-methyl-3-pyridinyl]-2,6-naphthyridin-3-yl]cyclopropane-1-carboxamide?
The canonical SMILES for cis-(1S,2S)-2-fluoro-N-[7-[6-(2-hydroxypropan-2-yl)-4-methyl-3-pyridinyl]-2,6-naphthyridin-3-yl]cyclopropane-1-carboxamide is Cc1cc(C(C)(C)O)ncc1-c1cc2cnc(NC(=O)[C@@H]3C[C@@H]3F)cc2cn1.
What is the InChIKey of cis-(1S,2S)-2-fluoro-N-[7-[6-(2-hydroxypropan-2-yl)-4-methyl-3-pyridinyl]-2,6-naphthyridin-3-yl]cyclopropane-1-carboxamide?
The InChIKey is UPKKASKNRGXJTD-ZBFHGGJFSA-N. The full InChI is InChI=1S/C21H21FN4O2/c1-11-4-18(21(2,3)28)24-10-15(11)17-5-12-9-25-19(6-13(12)8-23-17)26-20(27)14-7-16(14)22/h4-6,8-10,14,16,28H,7H2,1-3H3,(H,25,26,27)/t14-,16+/m1/s1.
What are the key properties of cis-(1S,2S)-2-fluoro-N-[7-[6-(2-hydroxypropan-2-yl)-4-methyl-3-pyridinyl]-2,6-naphthyridin-3-yl]cyclopropane-1-carboxamide?
cis-(1S,2S)-2-fluoro-N-[7-[6-(2-hydroxypropan-2-yl)-4-methyl-3-pyridinyl]-2,6-naphthyridin-3-yl]cyclopropane-1-carboxamide has a molecular weight of 380.42 g/mol, XLogP of 3.52, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2S)-2-fluoro-N-[7-[6-(2-hydroxypropan-2-yl)-4-methyl-3-pyridinyl]-2,6-naphthyridin-3-yl]cyclopropane-1-carboxamide is sourced from PubChem (CID 71115368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).