3-(3-fluorophenyl)-1-(2-piperidin-1-ylethyl)-6-(5-propan-2-yl-1H-pyrazole-3-carbonyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one

C28H34FN5O2 — CID 26220971

IUPAC3-(3-fluorophenyl)-1-(2-piperidin-1-ylethyl)-6-(5-propan-2-yl-1H-pyrazole-3-carbonyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one
SMILESCC(C)c1cc(C(=O)N2CCc3c(cc(-c4cccc(F)c4)c(=O)n3CCN3CCCCC3)C2)n[nH]1
InChIInChI=1S/C28H34FN5O2/c1-19(2)24-17-25(31-30-24)28(36)33-12-9-26-21(18-33)16-23(20-7-6-8-22(29)15-20)27(35)34(26)14-13-32-10-4-3-5-11-32/h6-8,15-17,19H,3-5,9-14,18H2,1-2H3,(H,30,31)
InChIKeyHCMANCQWTIMETA-UHFFFAOYSA-N
MW491.61 g/mol
LogP4.19
Rot. Bonds6

About 3-(3-fluorophenyl)-1-(2-piperidin-1-ylethyl)-6-(5-propan-2-yl-1H-pyrazole-3-carbonyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one

3-(3-fluorophenyl)-1-(2-piperidin-1-ylethyl)-6-(5-propan-2-yl-1H-pyrazole-3-carbonyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one (PubChem CID 26220971) has the molecular formula C28H34FN5O2 and a molecular weight of 491.61 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-1-(2-piperidin-1-ylethyl)-6-(5-propan-2-yl-1H-pyrazole-3-carbonyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one.

Molecular Properties

Compound Name3-(3-fluorophenyl)-1-(2-piperidin-1-ylethyl)-6-(5-propan-2-yl-1H-pyrazole-3-carbonyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one
PubChem CID26220971
Molecular FormulaC28H34FN5O2
Molecular Weight491.61 g/mol
Exact Mass491.27
IUPAC Name3-(3-fluorophenyl)-1-(2-piperidin-1-ylethyl)-6-(5-propan-2-yl-1H-pyrazole-3-carbonyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one
SMILESCC(C)c1cc(C(=O)N2CCc3c(cc(-c4cccc(F)c4)c(=O)n3CCN3CCCCC3)C2)n[nH]1
InChIInChI=1S/C28H34FN5O2/c1-19(2)24-17-25(31-30-24)28(36)33-12-9-26-21(18-33)16-23(20-7-6-8-22(29)15-20)27(35)34(26)14-13-32-10-4-3-5-11-32/h6-8,15-17,19H,3-5,9-14,18H2,1-2H3,(H,30,31)
InChIKeyHCMANCQWTIMETA-UHFFFAOYSA-N
XLogP4.19
TPSA74.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.61
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-1-(2-piperidin-1-ylethyl)-6-(5-propan-2-yl-1H-pyrazole-3-carbonyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one?
The IUPAC name of 3-(3-fluorophenyl)-1-(2-piperidin-1-ylethyl)-6-(5-propan-2-yl-1H-pyrazole-3-carbonyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one (CID 26220971) is 3-(3-fluorophenyl)-1-(2-piperidin-1-ylethyl)-6-(5-propan-2-yl-1H-pyrazole-3-carbonyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one.
What is the SMILES notation for 3-(3-fluorophenyl)-1-(2-piperidin-1-ylethyl)-6-(5-propan-2-yl-1H-pyrazole-3-carbonyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one?
The canonical SMILES for 3-(3-fluorophenyl)-1-(2-piperidin-1-ylethyl)-6-(5-propan-2-yl-1H-pyrazole-3-carbonyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one is CC(C)c1cc(C(=O)N2CCc3c(cc(-c4cccc(F)c4)c(=O)n3CCN3CCCCC3)C2)n[nH]1.
What is the InChIKey of 3-(3-fluorophenyl)-1-(2-piperidin-1-ylethyl)-6-(5-propan-2-yl-1H-pyrazole-3-carbonyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one?
The InChIKey is HCMANCQWTIMETA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34FN5O2/c1-19(2)24-17-25(31-30-24)28(36)33-12-9-26-21(18-33)16-23(20-7-6-8-22(29)15-20)27(35)34(26)14-13-32-10-4-3-5-11-32/h6-8,15-17,19H,3-5,9-14,18H2,1-2H3,(H,30,31).
What are the key properties of 3-(3-fluorophenyl)-1-(2-piperidin-1-ylethyl)-6-(5-propan-2-yl-1H-pyrazole-3-carbonyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one?
3-(3-fluorophenyl)-1-(2-piperidin-1-ylethyl)-6-(5-propan-2-yl-1H-pyrazole-3-carbonyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one has a molecular weight of 491.61 g/mol, XLogP of 4.19, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-1-(2-piperidin-1-ylethyl)-6-(5-propan-2-yl-1H-pyrazole-3-carbonyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one is sourced from PubChem (CID 26220971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).