3-amino-6-methyl-N-[2-[3-(1-methylpyrazol-4-yl)-4-piperazin-1-ylphenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide

C25H29N7OS — CID 149127800

IUPAC3-amino-6-methyl-N-[2-[3-(1-methylpyrazol-4-yl)-4-piperazin-1-ylphenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide
SMILESCc1ccc2c(N)c(C(=O)NCCc3ccc(N4CCNCC4)c(-c4cnn(C)c4)c3)sc2n1
InChIInChI=1S/C25H29N7OS/c1-16-3-5-19-22(26)23(34-25(19)30-16)24(33)28-8-7-17-4-6-21(32-11-9-27-10-12-32)20(13-17)18-14-29-31(2)15-18/h3-6,13-15,27H,7-12,26H2,1-2H3,(H,28,33)
InChIKeyRBMYFOMIOUBJMX-UHFFFAOYSA-N
MW475.62 g/mol
LogP2.97
Rot. Bonds6

About 3-amino-6-methyl-N-[2-[3-(1-methylpyrazol-4-yl)-4-piperazin-1-ylphenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide

3-amino-6-methyl-N-[2-[3-(1-methylpyrazol-4-yl)-4-piperazin-1-ylphenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 149127800) has the molecular formula C25H29N7OS and a molecular weight of 475.62 g/mol. Its IUPAC name is 3-amino-6-methyl-N-[2-[3-(1-methylpyrazol-4-yl)-4-piperazin-1-ylphenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-methyl-N-[2-[3-(1-methylpyrazol-4-yl)-4-piperazin-1-ylphenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide
PubChem CID149127800
Molecular FormulaC25H29N7OS
Molecular Weight475.62 g/mol
Exact Mass475.22
IUPAC Name3-amino-6-methyl-N-[2-[3-(1-methylpyrazol-4-yl)-4-piperazin-1-ylphenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide
SMILESCc1ccc2c(N)c(C(=O)NCCc3ccc(N4CCNCC4)c(-c4cnn(C)c4)c3)sc2n1
InChIInChI=1S/C25H29N7OS/c1-16-3-5-19-22(26)23(34-25(19)30-16)24(33)28-8-7-17-4-6-21(32-11-9-27-10-12-32)20(13-17)18-14-29-31(2)15-18/h3-6,13-15,27H,7-12,26H2,1-2H3,(H,28,33)
InChIKeyRBMYFOMIOUBJMX-UHFFFAOYSA-N
XLogP2.97
TPSA101.10 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.62
LogP ≤ 52.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-methyl-N-[2-[3-(1-methylpyrazol-4-yl)-4-piperazin-1-ylphenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-6-methyl-N-[2-[3-(1-methylpyrazol-4-yl)-4-piperazin-1-ylphenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide (CID 149127800) is 3-amino-6-methyl-N-[2-[3-(1-methylpyrazol-4-yl)-4-piperazin-1-ylphenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-6-methyl-N-[2-[3-(1-methylpyrazol-4-yl)-4-piperazin-1-ylphenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-6-methyl-N-[2-[3-(1-methylpyrazol-4-yl)-4-piperazin-1-ylphenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide is Cc1ccc2c(N)c(C(=O)NCCc3ccc(N4CCNCC4)c(-c4cnn(C)c4)c3)sc2n1.
What is the InChIKey of 3-amino-6-methyl-N-[2-[3-(1-methylpyrazol-4-yl)-4-piperazin-1-ylphenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is RBMYFOMIOUBJMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N7OS/c1-16-3-5-19-22(26)23(34-25(19)30-16)24(33)28-8-7-17-4-6-21(32-11-9-27-10-12-32)20(13-17)18-14-29-31(2)15-18/h3-6,13-15,27H,7-12,26H2,1-2H3,(H,28,33).
What are the key properties of 3-amino-6-methyl-N-[2-[3-(1-methylpyrazol-4-yl)-4-piperazin-1-ylphenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide?
3-amino-6-methyl-N-[2-[3-(1-methylpyrazol-4-yl)-4-piperazin-1-ylphenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 475.62 g/mol, XLogP of 2.97, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-methyl-N-[2-[3-(1-methylpyrazol-4-yl)-4-piperazin-1-ylphenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 149127800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).