N-[[1-[4-fluoro-3-(trifluoromethyl)phenyl]pyrazol-4-yl]methyl]-4-(1,8-naphthyridin-2-yl)butanamide

C23H19F4N5O — CID 71462034

IUPACN-[[1-[4-fluoro-3-(trifluoromethyl)phenyl]pyrazol-4-yl]methyl]-4-(1,8-naphthyridin-2-yl)butanamide
SMILESO=C(CCCc1ccc2cccnc2n1)NCc1cnn(-c2ccc(F)c(C(F)(F)F)c2)c1
InChIInChI=1S/C23H19F4N5O/c24-20-9-8-18(11-19(20)23(25,26)27)32-14-15(13-30-32)12-29-21(33)5-1-4-17-7-6-16-3-2-10-28-22(16)31-17/h2-3,6-11,13-14H,1,4-5,12H2,(H,29,33)
InChIKeyCLIUZAZSLUXJIA-UHFFFAOYSA-N
MW457.43 g/mol
LogP4.61
Rot. Bonds7

About N-[[1-[4-fluoro-3-(trifluoromethyl)phenyl]pyrazol-4-yl]methyl]-4-(1,8-naphthyridin-2-yl)butanamide

N-[[1-[4-fluoro-3-(trifluoromethyl)phenyl]pyrazol-4-yl]methyl]-4-(1,8-naphthyridin-2-yl)butanamide (PubChem CID 71462034) has the molecular formula C23H19F4N5O and a molecular weight of 457.43 g/mol. Its IUPAC name is N-[[1-[4-fluoro-3-(trifluoromethyl)phenyl]pyrazol-4-yl]methyl]-4-(1,8-naphthyridin-2-yl)butanamide.

Molecular Properties

Compound NameN-[[1-[4-fluoro-3-(trifluoromethyl)phenyl]pyrazol-4-yl]methyl]-4-(1,8-naphthyridin-2-yl)butanamide
PubChem CID71462034
Molecular FormulaC23H19F4N5O
Molecular Weight457.43 g/mol
Exact Mass457.15
IUPAC NameN-[[1-[4-fluoro-3-(trifluoromethyl)phenyl]pyrazol-4-yl]methyl]-4-(1,8-naphthyridin-2-yl)butanamide
SMILESO=C(CCCc1ccc2cccnc2n1)NCc1cnn(-c2ccc(F)c(C(F)(F)F)c2)c1
InChIInChI=1S/C23H19F4N5O/c24-20-9-8-18(11-19(20)23(25,26)27)32-14-15(13-30-32)12-29-21(33)5-1-4-17-7-6-16-3-2-10-28-22(16)31-17/h2-3,6-11,13-14H,1,4-5,12H2,(H,29,33)
InChIKeyCLIUZAZSLUXJIA-UHFFFAOYSA-N
XLogP4.61
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.43
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[1-[4-fluoro-3-(trifluoromethyl)phenyl]pyrazol-4-yl]methyl]-4-(1,8-naphthyridin-2-yl)butanamide?
The IUPAC name of N-[[1-[4-fluoro-3-(trifluoromethyl)phenyl]pyrazol-4-yl]methyl]-4-(1,8-naphthyridin-2-yl)butanamide (CID 71462034) is N-[[1-[4-fluoro-3-(trifluoromethyl)phenyl]pyrazol-4-yl]methyl]-4-(1,8-naphthyridin-2-yl)butanamide.
What is the SMILES notation for N-[[1-[4-fluoro-3-(trifluoromethyl)phenyl]pyrazol-4-yl]methyl]-4-(1,8-naphthyridin-2-yl)butanamide?
The canonical SMILES for N-[[1-[4-fluoro-3-(trifluoromethyl)phenyl]pyrazol-4-yl]methyl]-4-(1,8-naphthyridin-2-yl)butanamide is O=C(CCCc1ccc2cccnc2n1)NCc1cnn(-c2ccc(F)c(C(F)(F)F)c2)c1.
What is the InChIKey of N-[[1-[4-fluoro-3-(trifluoromethyl)phenyl]pyrazol-4-yl]methyl]-4-(1,8-naphthyridin-2-yl)butanamide?
The InChIKey is CLIUZAZSLUXJIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F4N5O/c24-20-9-8-18(11-19(20)23(25,26)27)32-14-15(13-30-32)12-29-21(33)5-1-4-17-7-6-16-3-2-10-28-22(16)31-17/h2-3,6-11,13-14H,1,4-5,12H2,(H,29,33).
What are the key properties of N-[[1-[4-fluoro-3-(trifluoromethyl)phenyl]pyrazol-4-yl]methyl]-4-(1,8-naphthyridin-2-yl)butanamide?
N-[[1-[4-fluoro-3-(trifluoromethyl)phenyl]pyrazol-4-yl]methyl]-4-(1,8-naphthyridin-2-yl)butanamide has a molecular weight of 457.43 g/mol, XLogP of 4.61, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[4-fluoro-3-(trifluoromethyl)phenyl]pyrazol-4-yl]methyl]-4-(1,8-naphthyridin-2-yl)butanamide is sourced from PubChem (CID 71462034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).