[4-[2-methyl-1-[6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]sulfonyl-3H-pyrazolo[4,3-b]pyridin-6-yl]phenyl]-(4-methylpiperazin-1-yl)methanone

C30H31N9O3S — CID 121299226

IUPAC[4-[2-methyl-1-[6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]sulfonyl-3H-pyrazolo[4,3-b]pyridin-6-yl]phenyl]-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)c2ccc(-c3cnc4c(c3)N(S(=O)(=O)c3cnc5ccc(-c6cnn(C)c6)cn35)N(C)C4)cc2)CC1
InChIInChI=1S/C30H31N9O3S/c1-34-10-12-37(13-11-34)30(40)22-6-4-21(5-7-22)24-14-27-26(31-15-24)20-36(3)39(27)43(41,42)29-17-32-28-9-8-23(19-38(28)29)25-16-33-35(2)18-25/h4-9,14-19H,10-13,20H2,1-3H3
InChIKeyIYBBRLNPIRETHH-UHFFFAOYSA-N
MW597.71 g/mol
LogP2.74
Rot. Bonds5

About [4-[2-methyl-1-[6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]sulfonyl-3H-pyrazolo[4,3-b]pyridin-6-yl]phenyl]-(4-methylpiperazin-1-yl)methanone

[4-[2-methyl-1-[6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]sulfonyl-3H-pyrazolo[4,3-b]pyridin-6-yl]phenyl]-(4-methylpiperazin-1-yl)methanone (PubChem CID 121299226) has the molecular formula C30H31N9O3S and a molecular weight of 597.71 g/mol. Its IUPAC name is [4-[2-methyl-1-[6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]sulfonyl-3H-pyrazolo[4,3-b]pyridin-6-yl]phenyl]-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[4-[2-methyl-1-[6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]sulfonyl-3H-pyrazolo[4,3-b]pyridin-6-yl]phenyl]-(4-methylpiperazin-1-yl)methanone
PubChem CID121299226
Molecular FormulaC30H31N9O3S
Molecular Weight597.71 g/mol
Exact Mass597.23
IUPAC Name[4-[2-methyl-1-[6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]sulfonyl-3H-pyrazolo[4,3-b]pyridin-6-yl]phenyl]-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)c2ccc(-c3cnc4c(c3)N(S(=O)(=O)c3cnc5ccc(-c6cnn(C)c6)cn35)N(C)C4)cc2)CC1
InChIInChI=1S/C30H31N9O3S/c1-34-10-12-37(13-11-34)30(40)22-6-4-21(5-7-22)24-14-27-26(31-15-24)20-36(3)39(27)43(41,42)29-17-32-28-9-8-23(19-38(28)29)25-16-33-35(2)18-25/h4-9,14-19H,10-13,20H2,1-3H3
InChIKeyIYBBRLNPIRETHH-UHFFFAOYSA-N
XLogP2.74
TPSA112.18 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500597.71
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze [4-[2-methyl-1-[6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]sulfonyl-3H-pyrazolo[4,3-b]pyridin-6-yl]phenyl]-(4-methylpiperazin-1-yl)methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [4-[2-methyl-1-[6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]sulfonyl-3H-pyrazolo[4,3-b]pyridin-6-yl]phenyl]-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of [4-[2-methyl-1-[6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]sulfonyl-3H-pyrazolo[4,3-b]pyridin-6-yl]phenyl]-(4-methylpiperazin-1-yl)methanone (CID 121299226) is [4-[2-methyl-1-[6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]sulfonyl-3H-pyrazolo[4,3-b]pyridin-6-yl]phenyl]-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for [4-[2-methyl-1-[6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]sulfonyl-3H-pyrazolo[4,3-b]pyridin-6-yl]phenyl]-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for [4-[2-methyl-1-[6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]sulfonyl-3H-pyrazolo[4,3-b]pyridin-6-yl]phenyl]-(4-methylpiperazin-1-yl)methanone is CN1CCN(C(=O)c2ccc(-c3cnc4c(c3)N(S(=O)(=O)c3cnc5ccc(-c6cnn(C)c6)cn35)N(C)C4)cc2)CC1.
What is the InChIKey of [4-[2-methyl-1-[6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]sulfonyl-3H-pyrazolo[4,3-b]pyridin-6-yl]phenyl]-(4-methylpiperazin-1-yl)methanone?
The InChIKey is IYBBRLNPIRETHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31N9O3S/c1-34-10-12-37(13-11-34)30(40)22-6-4-21(5-7-22)24-14-27-26(31-15-24)20-36(3)39(27)43(41,42)29-17-32-28-9-8-23(19-38(28)29)25-16-33-35(2)18-25/h4-9,14-19H,10-13,20H2,1-3H3.
What are the key properties of [4-[2-methyl-1-[6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]sulfonyl-3H-pyrazolo[4,3-b]pyridin-6-yl]phenyl]-(4-methylpiperazin-1-yl)methanone?
[4-[2-methyl-1-[6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]sulfonyl-3H-pyrazolo[4,3-b]pyridin-6-yl]phenyl]-(4-methylpiperazin-1-yl)methanone has a molecular weight of 597.71 g/mol, XLogP of 2.74, 5 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-methyl-1-[6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]sulfonyl-3H-pyrazolo[4,3-b]pyridin-6-yl]phenyl]-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 121299226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).