7-[[2-(2-fluoropropan-2-yl)pyrimidin-4-yl]methyl]-4-(2-hydroxyphenyl)-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide

C23H24FN5O2 — CID 145022550

IUPAC7-[[2-(2-fluoropropan-2-yl)pyrimidin-4-yl]methyl]-4-(2-hydroxyphenyl)-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide
SMILESCC(C)(F)c1nccc(CN2CCc3c(-c4ccccc4O)cc(C(N)=O)nc3C2)n1
InChIInChI=1S/C23H24FN5O2/c1-23(2,24)22-26-9-7-14(27-22)12-29-10-8-15-17(16-5-3-4-6-20(16)30)11-18(21(25)31)28-19(15)13-29/h3-7,9,11,30H,8,10,12-13H2,1-2H3,(H2,25,31)
InChIKeyBCHWUJQQHCZVRY-UHFFFAOYSA-N
MW421.48 g/mol
LogP3.11
Rot. Bonds5

About 7-[[2-(2-fluoropropan-2-yl)pyrimidin-4-yl]methyl]-4-(2-hydroxyphenyl)-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide

7-[[2-(2-fluoropropan-2-yl)pyrimidin-4-yl]methyl]-4-(2-hydroxyphenyl)-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide (PubChem CID 145022550) has the molecular formula C23H24FN5O2 and a molecular weight of 421.48 g/mol. Its IUPAC name is 7-[[2-(2-fluoropropan-2-yl)pyrimidin-4-yl]methyl]-4-(2-hydroxyphenyl)-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide.

Molecular Properties

Compound Name7-[[2-(2-fluoropropan-2-yl)pyrimidin-4-yl]methyl]-4-(2-hydroxyphenyl)-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide
PubChem CID145022550
Molecular FormulaC23H24FN5O2
Molecular Weight421.48 g/mol
Exact Mass421.19
IUPAC Name7-[[2-(2-fluoropropan-2-yl)pyrimidin-4-yl]methyl]-4-(2-hydroxyphenyl)-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide
SMILESCC(C)(F)c1nccc(CN2CCc3c(-c4ccccc4O)cc(C(N)=O)nc3C2)n1
InChIInChI=1S/C23H24FN5O2/c1-23(2,24)22-26-9-7-14(27-22)12-29-10-8-15-17(16-5-3-4-6-20(16)30)11-18(21(25)31)28-19(15)13-29/h3-7,9,11,30H,8,10,12-13H2,1-2H3,(H2,25,31)
InChIKeyBCHWUJQQHCZVRY-UHFFFAOYSA-N
XLogP3.11
TPSA105.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.48
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-[[2-(2-fluoropropan-2-yl)pyrimidin-4-yl]methyl]-4-(2-hydroxyphenyl)-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide?
The IUPAC name of 7-[[2-(2-fluoropropan-2-yl)pyrimidin-4-yl]methyl]-4-(2-hydroxyphenyl)-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide (CID 145022550) is 7-[[2-(2-fluoropropan-2-yl)pyrimidin-4-yl]methyl]-4-(2-hydroxyphenyl)-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide.
What is the SMILES notation for 7-[[2-(2-fluoropropan-2-yl)pyrimidin-4-yl]methyl]-4-(2-hydroxyphenyl)-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide?
The canonical SMILES for 7-[[2-(2-fluoropropan-2-yl)pyrimidin-4-yl]methyl]-4-(2-hydroxyphenyl)-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide is CC(C)(F)c1nccc(CN2CCc3c(-c4ccccc4O)cc(C(N)=O)nc3C2)n1.
What is the InChIKey of 7-[[2-(2-fluoropropan-2-yl)pyrimidin-4-yl]methyl]-4-(2-hydroxyphenyl)-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide?
The InChIKey is BCHWUJQQHCZVRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN5O2/c1-23(2,24)22-26-9-7-14(27-22)12-29-10-8-15-17(16-5-3-4-6-20(16)30)11-18(21(25)31)28-19(15)13-29/h3-7,9,11,30H,8,10,12-13H2,1-2H3,(H2,25,31).
What are the key properties of 7-[[2-(2-fluoropropan-2-yl)pyrimidin-4-yl]methyl]-4-(2-hydroxyphenyl)-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide?
7-[[2-(2-fluoropropan-2-yl)pyrimidin-4-yl]methyl]-4-(2-hydroxyphenyl)-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide has a molecular weight of 421.48 g/mol, XLogP of 3.11, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[2-(2-fluoropropan-2-yl)pyrimidin-4-yl]methyl]-4-(2-hydroxyphenyl)-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide is sourced from PubChem (CID 145022550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).