N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

C24H27N7OS — CID 26126881

IUPACN-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCC(C)n1ncc2c(C(=O)Nc3ccc(N4CCN(C)CC4)nc3)cc(-c3cccs3)nc21
InChIInChI=1S/C24H27N7OS/c1-16(2)31-23-19(15-26-31)18(13-20(28-23)21-5-4-12-33-21)24(32)27-17-6-7-22(25-14-17)30-10-8-29(3)9-11-30/h4-7,12-16H,8-11H2,1-3H3,(H,27,32)
InChIKeyXUVQSNDCLAJTMP-UHFFFAOYSA-N
MW461.60 g/mol
LogP4.14
Rot. Bonds5

About N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 26126881) has the molecular formula C24H27N7OS and a molecular weight of 461.60 g/mol. Its IUPAC name is N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID26126881
Molecular FormulaC24H27N7OS
Molecular Weight461.60 g/mol
Exact Mass461.20
IUPAC NameN-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCC(C)n1ncc2c(C(=O)Nc3ccc(N4CCN(C)CC4)nc3)cc(-c3cccs3)nc21
InChIInChI=1S/C24H27N7OS/c1-16(2)31-23-19(15-26-31)18(13-20(28-23)21-5-4-12-33-21)24(32)27-17-6-7-22(25-14-17)30-10-8-29(3)9-11-30/h4-7,12-16H,8-11H2,1-3H3,(H,27,32)
InChIKeyXUVQSNDCLAJTMP-UHFFFAOYSA-N
XLogP4.14
TPSA79.18 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.60
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 26126881) is N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is CC(C)n1ncc2c(C(=O)Nc3ccc(N4CCN(C)CC4)nc3)cc(-c3cccs3)nc21.
What is the InChIKey of N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is XUVQSNDCLAJTMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N7OS/c1-16(2)31-23-19(15-26-31)18(13-20(28-23)21-5-4-12-33-21)24(32)27-17-6-7-22(25-14-17)30-10-8-29(3)9-11-30/h4-7,12-16H,8-11H2,1-3H3,(H,27,32).
What are the key properties of N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 461.60 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 26126881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).