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

C31H30F3N7O3 — CID 59588759

IUPAC3-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-2-pyridin-2-yl-8-N-[[1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]methyl]imidazo[1,2-a]pyridine-3,8-dicarboxamide
SMILESCC(C)C[C@@H](CO)NC(=O)c1c(-c2ccccn2)nc2c(C(=O)NCc3cnn(-c4cccc(C(F)(F)F)c4)c3)cccn12
InChIInChI=1S/C31H30F3N7O3/c1-19(2)13-22(18-42)38-30(44)27-26(25-10-3-4-11-35-25)39-28-24(9-6-12-40(27)28)29(43)36-15-20-16-37-41(17-20)23-8-5-7-21(14-23)31(32,33)34/h3-12,14,16-17,19,22,42H,13,15,18H2,1-2H3,(H,36,43)(H,38,44)/t22-/m0/s1
InChIKeyDLVAQKADDOTOPG-QFIPXVFZSA-N
MW605.62 g/mol
LogP4.67
Rot. Bonds10

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

3-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-2-pyridin-2-yl-8-N-[[1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]methyl]imidazo[1,2-a]pyridine-3,8-dicarboxamide (PubChem CID 59588759) has the molecular formula C31H30F3N7O3 and a molecular weight of 605.62 g/mol. Its IUPAC name is 3-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-2-pyridin-2-yl-8-N-[[1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]methyl]imidazo[1,2-a]pyridine-3,8-dicarboxamide.

Molecular Properties

Compound Name3-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-2-pyridin-2-yl-8-N-[[1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]methyl]imidazo[1,2-a]pyridine-3,8-dicarboxamide
PubChem CID59588759
Molecular FormulaC31H30F3N7O3
Molecular Weight605.62 g/mol
Exact Mass605.24
IUPAC Name3-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-2-pyridin-2-yl-8-N-[[1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]methyl]imidazo[1,2-a]pyridine-3,8-dicarboxamide
SMILESCC(C)C[C@@H](CO)NC(=O)c1c(-c2ccccn2)nc2c(C(=O)NCc3cnn(-c4cccc(C(F)(F)F)c4)c3)cccn12
InChIInChI=1S/C31H30F3N7O3/c1-19(2)13-22(18-42)38-30(44)27-26(25-10-3-4-11-35-25)39-28-24(9-6-12-40(27)28)29(43)36-15-20-16-37-41(17-20)23-8-5-7-21(14-23)31(32,33)34/h3-12,14,16-17,19,22,42H,13,15,18H2,1-2H3,(H,36,43)(H,38,44)/t22-/m0/s1
InChIKeyDLVAQKADDOTOPG-QFIPXVFZSA-N
XLogP4.67
TPSA126.44 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500605.62
LogP ≤ 54.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-2-pyridin-2-yl-8-N-[[1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]methyl]imidazo[1,2-a]pyridine-3,8-dicarboxamide?
The IUPAC name of 3-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-2-pyridin-2-yl-8-N-[[1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]methyl]imidazo[1,2-a]pyridine-3,8-dicarboxamide (CID 59588759) is 3-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-2-pyridin-2-yl-8-N-[[1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]methyl]imidazo[1,2-a]pyridine-3,8-dicarboxamide.
What is the SMILES notation for 3-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-2-pyridin-2-yl-8-N-[[1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]methyl]imidazo[1,2-a]pyridine-3,8-dicarboxamide?
The canonical SMILES for 3-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-2-pyridin-2-yl-8-N-[[1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]methyl]imidazo[1,2-a]pyridine-3,8-dicarboxamide is CC(C)C[C@@H](CO)NC(=O)c1c(-c2ccccn2)nc2c(C(=O)NCc3cnn(-c4cccc(C(F)(F)F)c4)c3)cccn12.
What is the InChIKey of 3-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-2-pyridin-2-yl-8-N-[[1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]methyl]imidazo[1,2-a]pyridine-3,8-dicarboxamide?
The InChIKey is DLVAQKADDOTOPG-QFIPXVFZSA-N. The full InChI is InChI=1S/C31H30F3N7O3/c1-19(2)13-22(18-42)38-30(44)27-26(25-10-3-4-11-35-25)39-28-24(9-6-12-40(27)28)29(43)36-15-20-16-37-41(17-20)23-8-5-7-21(14-23)31(32,33)34/h3-12,14,16-17,19,22,42H,13,15,18H2,1-2H3,(H,36,43)(H,38,44)/t22-/m0/s1.
What are the key properties of 3-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-2-pyridin-2-yl-8-N-[[1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]methyl]imidazo[1,2-a]pyridine-3,8-dicarboxamide?
3-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-2-pyridin-2-yl-8-N-[[1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]methyl]imidazo[1,2-a]pyridine-3,8-dicarboxamide has a molecular weight of 605.62 g/mol, XLogP of 4.67, 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]-2-pyridin-2-yl-8-N-[[1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]methyl]imidazo[1,2-a]pyridine-3,8-dicarboxamide is sourced from PubChem (CID 59588759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).