3-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-8-N-[[1-(3-methylphenyl)pyrazol-4-yl]methyl]-2-pyridin-2-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide

C31H33N7O3 — CID 59588356

IUPAC3-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-8-N-[[1-(3-methylphenyl)pyrazol-4-yl]methyl]-2-pyridin-2-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide
SMILESCc1cccc(-n2cc(CNC(=O)c3cccn4c(C(=O)N[C@H](CO)CC(C)C)c(-c5ccccn5)nc34)cn2)c1
InChIInChI=1S/C31H33N7O3/c1-20(2)14-23(19-39)35-31(41)28-27(26-11-4-5-12-32-26)36-29-25(10-7-13-37(28)29)30(40)33-16-22-17-34-38(18-22)24-9-6-8-21(3)15-24/h4-13,15,17-18,20,23,39H,14,16,19H2,1-3H3,(H,33,40)(H,35,41)/t23-/m0/s1
InChIKeyQTGGLEUPXFOSIP-QHCPKHFHSA-N
MW551.65 g/mol
LogP3.96
Rot. Bonds10

About 3-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-8-N-[[1-(3-methylphenyl)pyrazol-4-yl]methyl]-2-pyridin-2-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide

3-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-8-N-[[1-(3-methylphenyl)pyrazol-4-yl]methyl]-2-pyridin-2-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide (PubChem CID 59588356) has the molecular formula C31H33N7O3 and a molecular weight of 551.65 g/mol. Its IUPAC name is 3-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-8-N-[[1-(3-methylphenyl)pyrazol-4-yl]methyl]-2-pyridin-2-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide.

Molecular Properties

Compound Name3-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-8-N-[[1-(3-methylphenyl)pyrazol-4-yl]methyl]-2-pyridin-2-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide
PubChem CID59588356
Molecular FormulaC31H33N7O3
Molecular Weight551.65 g/mol
Exact Mass551.26
IUPAC Name3-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-8-N-[[1-(3-methylphenyl)pyrazol-4-yl]methyl]-2-pyridin-2-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide
SMILESCc1cccc(-n2cc(CNC(=O)c3cccn4c(C(=O)N[C@H](CO)CC(C)C)c(-c5ccccn5)nc34)cn2)c1
InChIInChI=1S/C31H33N7O3/c1-20(2)14-23(19-39)35-31(41)28-27(26-11-4-5-12-32-26)36-29-25(10-7-13-37(28)29)30(40)33-16-22-17-34-38(18-22)24-9-6-8-21(3)15-24/h4-13,15,17-18,20,23,39H,14,16,19H2,1-3H3,(H,33,40)(H,35,41)/t23-/m0/s1
InChIKeyQTGGLEUPXFOSIP-QHCPKHFHSA-N
XLogP3.96
TPSA126.44 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500551.65
LogP ≤ 53.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 3-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-8-N-[[1-(3-methylphenyl)pyrazol-4-yl]methyl]-2-pyridin-2-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-8-N-[[1-(3-methylphenyl)pyrazol-4-yl]methyl]-2-pyridin-2-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide?
The IUPAC name of 3-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-8-N-[[1-(3-methylphenyl)pyrazol-4-yl]methyl]-2-pyridin-2-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide (CID 59588356) is 3-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-8-N-[[1-(3-methylphenyl)pyrazol-4-yl]methyl]-2-pyridin-2-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide.
What is the SMILES notation for 3-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-8-N-[[1-(3-methylphenyl)pyrazol-4-yl]methyl]-2-pyridin-2-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide?
The canonical SMILES for 3-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-8-N-[[1-(3-methylphenyl)pyrazol-4-yl]methyl]-2-pyridin-2-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide is Cc1cccc(-n2cc(CNC(=O)c3cccn4c(C(=O)N[C@H](CO)CC(C)C)c(-c5ccccn5)nc34)cn2)c1.
What is the InChIKey of 3-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-8-N-[[1-(3-methylphenyl)pyrazol-4-yl]methyl]-2-pyridin-2-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide?
The InChIKey is QTGGLEUPXFOSIP-QHCPKHFHSA-N. The full InChI is InChI=1S/C31H33N7O3/c1-20(2)14-23(19-39)35-31(41)28-27(26-11-4-5-12-32-26)36-29-25(10-7-13-37(28)29)30(40)33-16-22-17-34-38(18-22)24-9-6-8-21(3)15-24/h4-13,15,17-18,20,23,39H,14,16,19H2,1-3H3,(H,33,40)(H,35,41)/t23-/m0/s1.
What are the key properties of 3-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-8-N-[[1-(3-methylphenyl)pyrazol-4-yl]methyl]-2-pyridin-2-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide?
3-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-8-N-[[1-(3-methylphenyl)pyrazol-4-yl]methyl]-2-pyridin-2-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide has a molecular weight of 551.65 g/mol, XLogP of 3.96, 10 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-8-N-[[1-(3-methylphenyl)pyrazol-4-yl]methyl]-2-pyridin-2-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide is sourced from PubChem (CID 59588356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).