N-[[5-(1-propan-2-ylpyrazol-4-yl)sulfonyl-2-pyridinyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide

C20H20N6O3S — CID 118193525

IUPACN-[[5-(1-propan-2-ylpyrazol-4-yl)sulfonyl-2-pyridinyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide
SMILESCC(C)n1cc(S(=O)(=O)c2ccc(CNC(=O)c3ccc4nccn4c3)nc2)cn1
InChIInChI=1S/C20H20N6O3S/c1-14(2)26-13-18(11-24-26)30(28,29)17-5-4-16(22-10-17)9-23-20(27)15-3-6-19-21-7-8-25(19)12-15/h3-8,10-14H,9H2,1-2H3,(H,23,27)
InChIKeyVBSOLZBVHOUMEF-UHFFFAOYSA-N
MW424.49 g/mol
LogP2.27
Rot. Bonds6

About N-[[5-(1-propan-2-ylpyrazol-4-yl)sulfonyl-2-pyridinyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide

N-[[5-(1-propan-2-ylpyrazol-4-yl)sulfonyl-2-pyridinyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide (PubChem CID 118193525) has the molecular formula C20H20N6O3S and a molecular weight of 424.49 g/mol. Its IUPAC name is N-[[5-(1-propan-2-ylpyrazol-4-yl)sulfonyl-2-pyridinyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-[[5-(1-propan-2-ylpyrazol-4-yl)sulfonyl-2-pyridinyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide
PubChem CID118193525
Molecular FormulaC20H20N6O3S
Molecular Weight424.49 g/mol
Exact Mass424.13
IUPAC NameN-[[5-(1-propan-2-ylpyrazol-4-yl)sulfonyl-2-pyridinyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide
SMILESCC(C)n1cc(S(=O)(=O)c2ccc(CNC(=O)c3ccc4nccn4c3)nc2)cn1
InChIInChI=1S/C20H20N6O3S/c1-14(2)26-13-18(11-24-26)30(28,29)17-5-4-16(22-10-17)9-23-20(27)15-3-6-19-21-7-8-25(19)12-15/h3-8,10-14H,9H2,1-2H3,(H,23,27)
InChIKeyVBSOLZBVHOUMEF-UHFFFAOYSA-N
XLogP2.27
TPSA111.25 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.49
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(1-propan-2-ylpyrazol-4-yl)sulfonyl-2-pyridinyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide?
The IUPAC name of N-[[5-(1-propan-2-ylpyrazol-4-yl)sulfonyl-2-pyridinyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide (CID 118193525) is N-[[5-(1-propan-2-ylpyrazol-4-yl)sulfonyl-2-pyridinyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide.
What is the SMILES notation for N-[[5-(1-propan-2-ylpyrazol-4-yl)sulfonyl-2-pyridinyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide?
The canonical SMILES for N-[[5-(1-propan-2-ylpyrazol-4-yl)sulfonyl-2-pyridinyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide is CC(C)n1cc(S(=O)(=O)c2ccc(CNC(=O)c3ccc4nccn4c3)nc2)cn1.
What is the InChIKey of N-[[5-(1-propan-2-ylpyrazol-4-yl)sulfonyl-2-pyridinyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide?
The InChIKey is VBSOLZBVHOUMEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O3S/c1-14(2)26-13-18(11-24-26)30(28,29)17-5-4-16(22-10-17)9-23-20(27)15-3-6-19-21-7-8-25(19)12-15/h3-8,10-14H,9H2,1-2H3,(H,23,27).
What are the key properties of N-[[5-(1-propan-2-ylpyrazol-4-yl)sulfonyl-2-pyridinyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide?
N-[[5-(1-propan-2-ylpyrazol-4-yl)sulfonyl-2-pyridinyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide has a molecular weight of 424.49 g/mol, XLogP of 2.27, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(1-propan-2-ylpyrazol-4-yl)sulfonyl-2-pyridinyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide is sourced from PubChem (CID 118193525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).