5-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-N-[(1S,2S)-2-hydroxycyclopentyl]-4-oxofuro[3,2-c]pyridine-7-carboxamide

C24H23FN4O4 — CID 162772141

IUPAC5-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-N-[(1S,2S)-2-hydroxycyclopentyl]-4-oxofuro[3,2-c]pyridine-7-carboxamide
SMILESCn1cc(-c2ccc(Cn3cc(C(=O)N[C@H]4CCC[C@@H]4O)c4occc4c3=O)c(F)c2)cn1
InChIInChI=1S/C24H23FN4O4/c1-28-11-16(10-26-28)14-5-6-15(19(25)9-14)12-29-13-18(22-17(24(29)32)7-8-33-22)23(31)27-20-3-2-4-21(20)30/h5-11,13,20-21,30H,2-4,12H2,1H3,(H,27,31)/t20-,21-/m0/s1
InChIKeyJIZSPMUZCLFREU-SFTDATJTSA-N
MW450.47 g/mol
LogP2.83
Rot. Bonds5

About 5-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-N-[(1S,2S)-2-hydroxycyclopentyl]-4-oxofuro[3,2-c]pyridine-7-carboxamide

5-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-N-[(1S,2S)-2-hydroxycyclopentyl]-4-oxofuro[3,2-c]pyridine-7-carboxamide (PubChem CID 162772141) has the molecular formula C24H23FN4O4 and a molecular weight of 450.47 g/mol. Its IUPAC name is 5-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-N-[(1S,2S)-2-hydroxycyclopentyl]-4-oxofuro[3,2-c]pyridine-7-carboxamide.

Molecular Properties

Compound Name5-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-N-[(1S,2S)-2-hydroxycyclopentyl]-4-oxofuro[3,2-c]pyridine-7-carboxamide
PubChem CID162772141
Molecular FormulaC24H23FN4O4
Molecular Weight450.47 g/mol
Exact Mass450.17
IUPAC Name5-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-N-[(1S,2S)-2-hydroxycyclopentyl]-4-oxofuro[3,2-c]pyridine-7-carboxamide
SMILESCn1cc(-c2ccc(Cn3cc(C(=O)N[C@H]4CCC[C@@H]4O)c4occc4c3=O)c(F)c2)cn1
InChIInChI=1S/C24H23FN4O4/c1-28-11-16(10-26-28)14-5-6-15(19(25)9-14)12-29-13-18(22-17(24(29)32)7-8-33-22)23(31)27-20-3-2-4-21(20)30/h5-11,13,20-21,30H,2-4,12H2,1H3,(H,27,31)/t20-,21-/m0/s1
InChIKeyJIZSPMUZCLFREU-SFTDATJTSA-N
XLogP2.83
TPSA102.29 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.47
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

6-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-N-[(1S,2S)-2-hydroxycyclopentyl]-5-oxo-1,6-naphthyridine-8-carboxamide
CID 162772163
6-[[2-fluoro-4-(2-methylpyrazol-3-yl)phenyl]methyl]-N-[(1S,2S)-2-hydroxycyclohexyl]-5-oxo-1,6-naphthyridine-8-carboxamide
CID 162772245
4,7-difluoro-1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-N-[(3R,4S)-3-hydroxyoxan-4-yl]indole-3-carboxamide
CID 122413548
5-[[2-fluoro-4-(1-methylpyrazol-3-yl)phenyl]methyl]-N-[(1S,2S)-2-hydroxycyclopentyl]-3-methyl-4-oxoimidazo[4,5-c]pyridine-7-carboxamide
CID 162772152
N-[(1S,2S)-2-hydroxycyclohexyl]-6-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-5-oxo-1,6-naphthyridine-8-carboxamide
CID 162772225
6-[[2-fluoro-4-(2-methylpyrazol-3-yl)phenyl]methyl]-N-[(1S,2S)-2-hydroxycyclohexyl]-5-oxoimidazo[1,2-c]pyrimidine-8-carboxamide
CID 162772236
4-fluoro-1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-N-[(3R)-oxan-3-yl]indole-3-carboxamide
CID 144813189
4-fluoro-N-[(1S,2S)-2-hydroxycyclohexyl]-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]indole-3-carboxamide
CID 121482836
4-fluoro-N-[(1S,2S)-2-hydroxycyclohexyl]-7-methyl-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]indole-3-carboxamide
CID 121482851
5-[[2,6-difluoro-4-(2-methylindazol-4-yl)phenyl]methyl]-N-(oxan-4-yl)-4-oxofuro[3,2-c]pyridine-7-carboxamide
CID 162772136
6-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-5-oxo-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrido[3,4-b]pyrazine-8-carboxamide
CID 162772267
1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-N-pyridin-3-ylindole-3-carboxamide
CID 71656354

Frequently Asked Questions

What is the IUPAC name of 5-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-N-[(1S,2S)-2-hydroxycyclopentyl]-4-oxofuro[3,2-c]pyridine-7-carboxamide?
The IUPAC name of 5-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-N-[(1S,2S)-2-hydroxycyclopentyl]-4-oxofuro[3,2-c]pyridine-7-carboxamide (CID 162772141) is 5-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-N-[(1S,2S)-2-hydroxycyclopentyl]-4-oxofuro[3,2-c]pyridine-7-carboxamide.
What is the SMILES notation for 5-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-N-[(1S,2S)-2-hydroxycyclopentyl]-4-oxofuro[3,2-c]pyridine-7-carboxamide?
The canonical SMILES for 5-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-N-[(1S,2S)-2-hydroxycyclopentyl]-4-oxofuro[3,2-c]pyridine-7-carboxamide is Cn1cc(-c2ccc(Cn3cc(C(=O)N[C@H]4CCC[C@@H]4O)c4occc4c3=O)c(F)c2)cn1.
What is the InChIKey of 5-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-N-[(1S,2S)-2-hydroxycyclopentyl]-4-oxofuro[3,2-c]pyridine-7-carboxamide?
The InChIKey is JIZSPMUZCLFREU-SFTDATJTSA-N. The full InChI is InChI=1S/C24H23FN4O4/c1-28-11-16(10-26-28)14-5-6-15(19(25)9-14)12-29-13-18(22-17(24(29)32)7-8-33-22)23(31)27-20-3-2-4-21(20)30/h5-11,13,20-21,30H,2-4,12H2,1H3,(H,27,31)/t20-,21-/m0/s1.
What are the key properties of 5-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-N-[(1S,2S)-2-hydroxycyclopentyl]-4-oxofuro[3,2-c]pyridine-7-carboxamide?
5-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-N-[(1S,2S)-2-hydroxycyclopentyl]-4-oxofuro[3,2-c]pyridine-7-carboxamide has a molecular weight of 450.47 g/mol, XLogP of 2.83, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-N-[(1S,2S)-2-hydroxycyclopentyl]-4-oxofuro[3,2-c]pyridine-7-carboxamide is sourced from PubChem (CID 162772141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).