6-[[2-fluoro-4-(1-methylpyrazol-3-yl)phenyl]methyl]-N-[(3R,4S)-3-hydroxyoxan-4-yl]imidazo[1,2-a]pyridine-8-carboxamide

C24H24FN5O3 — CID 146501248

IUPAC6-[[2-fluoro-4-(1-methylpyrazol-3-yl)phenyl]methyl]-N-[(3R,4S)-3-hydroxyoxan-4-yl]imidazo[1,2-a]pyridine-8-carboxamide
SMILESCn1ccc(-c2ccc(Cc3cc(C(=O)N[C@H]4CCOC[C@@H]4O)c4nccn4c3)c(F)c2)n1
InChIInChI=1S/C24H24FN5O3/c1-29-7-4-20(28-29)17-3-2-16(19(25)12-17)10-15-11-18(23-26-6-8-30(23)13-15)24(32)27-21-5-9-33-14-22(21)31/h2-4,6-8,11-13,21-22,31H,5,9-10,14H2,1H3,(H,27,32)/t21-,22-/m0/s1
InChIKeyYSNOREAXRYDLJZ-VXKWHMMOSA-N
MW449.49 g/mol
LogP2.34
Rot. Bonds5

About 6-[[2-fluoro-4-(1-methylpyrazol-3-yl)phenyl]methyl]-N-[(3R,4S)-3-hydroxyoxan-4-yl]imidazo[1,2-a]pyridine-8-carboxamide

6-[[2-fluoro-4-(1-methylpyrazol-3-yl)phenyl]methyl]-N-[(3R,4S)-3-hydroxyoxan-4-yl]imidazo[1,2-a]pyridine-8-carboxamide (PubChem CID 146501248) has the molecular formula C24H24FN5O3 and a molecular weight of 449.49 g/mol. Its IUPAC name is 6-[[2-fluoro-4-(1-methylpyrazol-3-yl)phenyl]methyl]-N-[(3R,4S)-3-hydroxyoxan-4-yl]imidazo[1,2-a]pyridine-8-carboxamide.

Molecular Properties

Compound Name6-[[2-fluoro-4-(1-methylpyrazol-3-yl)phenyl]methyl]-N-[(3R,4S)-3-hydroxyoxan-4-yl]imidazo[1,2-a]pyridine-8-carboxamide
PubChem CID146501248
Molecular FormulaC24H24FN5O3
Molecular Weight449.49 g/mol
Exact Mass449.19
IUPAC Name6-[[2-fluoro-4-(1-methylpyrazol-3-yl)phenyl]methyl]-N-[(3R,4S)-3-hydroxyoxan-4-yl]imidazo[1,2-a]pyridine-8-carboxamide
SMILESCn1ccc(-c2ccc(Cc3cc(C(=O)N[C@H]4CCOC[C@@H]4O)c4nccn4c3)c(F)c2)n1
InChIInChI=1S/C24H24FN5O3/c1-29-7-4-20(28-29)17-3-2-16(19(25)12-17)10-15-11-18(23-26-6-8-30(23)13-15)24(32)27-21-5-9-33-14-22(21)31/h2-4,6-8,11-13,21-22,31H,5,9-10,14H2,1H3,(H,27,32)/t21-,22-/m0/s1
InChIKeyYSNOREAXRYDLJZ-VXKWHMMOSA-N
XLogP2.34
TPSA93.68 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.49
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

6-[[2-fluoro-4-(1-methylpyrazol-3-yl)phenyl]methyl]-N-[(1S,2S)-2-hydroxycyclopentyl]imidazo[1,2-a]pyridine-8-carboxamide
CID 146501201
6-[[2,6-difluoro-4-(1-methylpyrazol-3-yl)phenyl]methyl]-N-[(1S,2S)-2-hydroxycyclohexyl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide
CID 146501259
N-[(3R,4S)-3-hydroxyoxan-4-yl]-7-[[6-(1-methylpyrazol-3-yl)-3-pyridinyl]methyl]-2,3-dihydrofuro[3,2-b]pyridine-5-carboxamide
CID 142503659
N-[(3R,4S)-3-hydroxyoxan-4-yl]-6-(1-methylpyrazol-4-yl)-4-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]pyridine-2-carboxamide
CID 147196532
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
N-[(3R,4S)-3-hydroxyoxan-4-yl]-5-methyl-6-[[6-(1-methylpyrazol-3-yl)-3-pyridinyl]methyl]quinoline-8-carboxamide
CID 146503242
N-[(3R,4S)-3-hydroxyoxan-4-yl]-4-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide
CID 147405286
2-fluoro-N-[(3S,4S)-4-hydroxyoxan-3-yl]-3,4-dimethyl-5-[[6-(1-methylpyrazol-3-yl)-3-pyridinyl]methyl]benzamide
CID 137404563
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
4-(cyclopropylmethoxy)-N-[(3R,4S)-3-hydroxyoxan-4-yl]-7-[[4-(1-methyltriazol-4-yl)phenyl]methyl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 156758782
5-methyl-4-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]-N-(oxolan-3-yl)pyridine-2-carboxamide
CID 129017443
2-fluoro-N-[(3R,4S)-3-hydroxyoxan-4-yl]-4-[[3-[(3R,4S)-3-hydroxyoxan-4-yl]-7,8-dimethyl-4-oxoquinazolin-6-yl]methyl]benzamide
CID 162466553

Frequently Asked Questions

What is the IUPAC name of 6-[[2-fluoro-4-(1-methylpyrazol-3-yl)phenyl]methyl]-N-[(3R,4S)-3-hydroxyoxan-4-yl]imidazo[1,2-a]pyridine-8-carboxamide?
The IUPAC name of 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) is 6-[[2-fluoro-4-(1-methylpyrazol-3-yl)phenyl]methyl]-N-[(3R,4S)-3-hydroxyoxan-4-yl]imidazo[1,2-a]pyridine-8-carboxamide.
What is the SMILES notation for 6-[[2-fluoro-4-(1-methylpyrazol-3-yl)phenyl]methyl]-N-[(3R,4S)-3-hydroxyoxan-4-yl]imidazo[1,2-a]pyridine-8-carboxamide?
The canonical SMILES for 6-[[2-fluoro-4-(1-methylpyrazol-3-yl)phenyl]methyl]-N-[(3R,4S)-3-hydroxyoxan-4-yl]imidazo[1,2-a]pyridine-8-carboxamide is Cn1ccc(-c2ccc(Cc3cc(C(=O)N[C@H]4CCOC[C@@H]4O)c4nccn4c3)c(F)c2)n1.
What is the InChIKey of 6-[[2-fluoro-4-(1-methylpyrazol-3-yl)phenyl]methyl]-N-[(3R,4S)-3-hydroxyoxan-4-yl]imidazo[1,2-a]pyridine-8-carboxamide?
The InChIKey is YSNOREAXRYDLJZ-VXKWHMMOSA-N. The full InChI is InChI=1S/C24H24FN5O3/c1-29-7-4-20(28-29)17-3-2-16(19(25)12-17)10-15-11-18(23-26-6-8-30(23)13-15)24(32)27-21-5-9-33-14-22(21)31/h2-4,6-8,11-13,21-22,31H,5,9-10,14H2,1H3,(H,27,32)/t21-,22-/m0/s1.
What are the key properties of 6-[[2-fluoro-4-(1-methylpyrazol-3-yl)phenyl]methyl]-N-[(3R,4S)-3-hydroxyoxan-4-yl]imidazo[1,2-a]pyridine-8-carboxamide?
6-[[2-fluoro-4-(1-methylpyrazol-3-yl)phenyl]methyl]-N-[(3R,4S)-3-hydroxyoxan-4-yl]imidazo[1,2-a]pyridine-8-carboxamide has a molecular weight of 449.49 g/mol, XLogP of 2.34, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-fluoro-4-(1-methylpyrazol-3-yl)phenyl]methyl]-N-[(3R,4S)-3-hydroxyoxan-4-yl]imidazo[1,2-a]pyridine-8-carboxamide is sourced from PubChem (CID 146501248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).