6-[[2-fluoro-4-(2-methylpyrazol-3-yl)phenyl]methyl]-N-[(1S,2S)-2-hydroxycyclohexyl]-5-oxoimidazo[1,2-c]pyrimidine-8-carboxamide

C24H25FN6O3 — CID 162772236

IUPAC6-[[2-fluoro-4-(2-methylpyrazol-3-yl)phenyl]methyl]-N-[(1S,2S)-2-hydroxycyclohexyl]-5-oxoimidazo[1,2-c]pyrimidine-8-carboxamide
SMILESCn1nccc1-c1ccc(Cn2cc(C(=O)N[C@H]3CCCC[C@@H]3O)c3nccn3c2=O)c(F)c1
InChIInChI=1S/C24H25FN6O3/c1-29-20(8-9-27-29)15-6-7-16(18(25)12-15)13-30-14-17(22-26-10-11-31(22)24(30)34)23(33)28-19-4-2-3-5-21(19)32/h6-12,14,19,21,32H,2-5,13H2,1H3,(H,28,33)/t19-,21-/m0/s1
InChIKeyOHMBSVVCOYNCMX-FPOVZHCZSA-N
MW464.50 g/mol
LogP2.12
Rot. Bonds5

About 6-[[2-fluoro-4-(2-methylpyrazol-3-yl)phenyl]methyl]-N-[(1S,2S)-2-hydroxycyclohexyl]-5-oxoimidazo[1,2-c]pyrimidine-8-carboxamide

6-[[2-fluoro-4-(2-methylpyrazol-3-yl)phenyl]methyl]-N-[(1S,2S)-2-hydroxycyclohexyl]-5-oxoimidazo[1,2-c]pyrimidine-8-carboxamide (PubChem CID 162772236) has the molecular formula C24H25FN6O3 and a molecular weight of 464.50 g/mol. Its IUPAC name is 6-[[2-fluoro-4-(2-methylpyrazol-3-yl)phenyl]methyl]-N-[(1S,2S)-2-hydroxycyclohexyl]-5-oxoimidazo[1,2-c]pyrimidine-8-carboxamide.

Molecular Properties

Compound Name6-[[2-fluoro-4-(2-methylpyrazol-3-yl)phenyl]methyl]-N-[(1S,2S)-2-hydroxycyclohexyl]-5-oxoimidazo[1,2-c]pyrimidine-8-carboxamide
PubChem CID162772236
Molecular FormulaC24H25FN6O3
Molecular Weight464.50 g/mol
Exact Mass464.20
IUPAC Name6-[[2-fluoro-4-(2-methylpyrazol-3-yl)phenyl]methyl]-N-[(1S,2S)-2-hydroxycyclohexyl]-5-oxoimidazo[1,2-c]pyrimidine-8-carboxamide
SMILESCn1nccc1-c1ccc(Cn2cc(C(=O)N[C@H]3CCCC[C@@H]3O)c3nccn3c2=O)c(F)c1
InChIInChI=1S/C24H25FN6O3/c1-29-20(8-9-27-29)15-6-7-16(18(25)12-15)13-30-14-17(22-26-10-11-31(22)24(30)34)23(33)28-19-4-2-3-5-21(19)32/h6-12,14,19,21,32H,2-5,13H2,1H3,(H,28,33)/t19-,21-/m0/s1
InChIKeyOHMBSVVCOYNCMX-FPOVZHCZSA-N
XLogP2.12
TPSA106.45 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.50
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

6-[[2-fluoro-4-(2-methylpyrazol-3-yl)phenyl]methyl]-N-[(1S,2S)-2-hydroxycyclohexyl]-5-oxo-1,6-naphthyridine-8-carboxamide
CID 162772245
6-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-N-[(1S,2S)-2-hydroxycyclopentyl]-5-oxo-1,6-naphthyridine-8-carboxamide
CID 162772163
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
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
6-[[2-fluoro-4-(1-methylpyrazol-3-yl)phenyl]methyl]-N-[(1S,2S)-2-hydroxycyclopentyl]imidazo[1,2-a]pyridine-8-carboxamide
CID 146501201
1-[(1R,2R)-2-hydroxycyclohexyl]-3-[2-methyl-5-(2-methylpyrazol-3-yl)phenyl]urea
CID 125140861
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
1-[(2,3-difluoro-4-pyridinyl)methyl]-4-fluoro-N-[(1S,2S)-2-hydroxycyclohexyl]indole-3-carboxamide
CID 135312875
(5E)-5-[(Z)-but-2-enylidene]-1-[(2-fluoro-4-methylphenyl)methyl]-N-[(1S)-2-hydroxycyclohexyl]-4-methylidenepyrrole-3-carboxamide
CID 144820332
1-[(2,5-difluoro-4-pyridinyl)methyl]-4-fluoro-N-[(1S,2S)-2-hydroxycyclohexyl]indole-3-carboxamide
CID 135312869
6-[[2-fluoro-4-(1-methylpyrazol-3-yl)phenyl]methyl]-N-[(3R,4S)-3-hydroxyoxan-4-yl]imidazo[1,2-a]pyridine-8-carboxamide
CID 146501248
1-[(2,3-difluorophenyl)methyl]-N-[(1S)-2-hydroxycyclohexyl]-7-methoxypyrrolo[3,2-b]pyridine-3-carboxamide
CID 138672994

Frequently Asked Questions

What is the IUPAC name of 6-[[2-fluoro-4-(2-methylpyrazol-3-yl)phenyl]methyl]-N-[(1S,2S)-2-hydroxycyclohexyl]-5-oxoimidazo[1,2-c]pyrimidine-8-carboxamide?
The IUPAC name of 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) is 6-[[2-fluoro-4-(2-methylpyrazol-3-yl)phenyl]methyl]-N-[(1S,2S)-2-hydroxycyclohexyl]-5-oxoimidazo[1,2-c]pyrimidine-8-carboxamide.
What is the SMILES notation for 6-[[2-fluoro-4-(2-methylpyrazol-3-yl)phenyl]methyl]-N-[(1S,2S)-2-hydroxycyclohexyl]-5-oxoimidazo[1,2-c]pyrimidine-8-carboxamide?
The canonical SMILES for 6-[[2-fluoro-4-(2-methylpyrazol-3-yl)phenyl]methyl]-N-[(1S,2S)-2-hydroxycyclohexyl]-5-oxoimidazo[1,2-c]pyrimidine-8-carboxamide is Cn1nccc1-c1ccc(Cn2cc(C(=O)N[C@H]3CCCC[C@@H]3O)c3nccn3c2=O)c(F)c1.
What is the InChIKey of 6-[[2-fluoro-4-(2-methylpyrazol-3-yl)phenyl]methyl]-N-[(1S,2S)-2-hydroxycyclohexyl]-5-oxoimidazo[1,2-c]pyrimidine-8-carboxamide?
The InChIKey is OHMBSVVCOYNCMX-FPOVZHCZSA-N. The full InChI is InChI=1S/C24H25FN6O3/c1-29-20(8-9-27-29)15-6-7-16(18(25)12-15)13-30-14-17(22-26-10-11-31(22)24(30)34)23(33)28-19-4-2-3-5-21(19)32/h6-12,14,19,21,32H,2-5,13H2,1H3,(H,28,33)/t19-,21-/m0/s1.
What are the key properties of 6-[[2-fluoro-4-(2-methylpyrazol-3-yl)phenyl]methyl]-N-[(1S,2S)-2-hydroxycyclohexyl]-5-oxoimidazo[1,2-c]pyrimidine-8-carboxamide?
6-[[2-fluoro-4-(2-methylpyrazol-3-yl)phenyl]methyl]-N-[(1S,2S)-2-hydroxycyclohexyl]-5-oxoimidazo[1,2-c]pyrimidine-8-carboxamide has a molecular weight of 464.50 g/mol, XLogP of 2.12, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-fluoro-4-(2-methylpyrazol-3-yl)phenyl]methyl]-N-[(1S,2S)-2-hydroxycyclohexyl]-5-oxoimidazo[1,2-c]pyrimidine-8-carboxamide is sourced from PubChem (CID 162772236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).