5-[3-(3-methylphenyl)pyrazol-1-yl]-N-(1-methylpyrrolidin-3-yl)-7-morpholin-4-ylthieno[3,2-b]pyridine-2-carboxamide

C27H30N6O2S — CID 169032761

IUPAC5-[3-(3-methylphenyl)pyrazol-1-yl]-N-(1-methylpyrrolidin-3-yl)-7-morpholin-4-ylthieno[3,2-b]pyridine-2-carboxamide
SMILESCc1cccc(-c2ccn(-c3cc(N4CCOCC4)c4sc(C(=O)NC5CCN(C)C5)cc4n3)n2)c1
InChIInChI=1S/C27H30N6O2S/c1-18-4-3-5-19(14-18)21-7-9-33(30-21)25-16-23(32-10-12-35-13-11-32)26-22(29-25)15-24(36-26)27(34)28-20-6-8-31(2)17-20/h3-5,7,9,14-16,20H,6,8,10-13,17H2,1-2H3,(H,28,34)
InChIKeyLZFVLLUVOXAOMQ-UHFFFAOYSA-N
MW502.64 g/mol
LogP3.73
Rot. Bonds5

About 5-[3-(3-methylphenyl)pyrazol-1-yl]-N-(1-methylpyrrolidin-3-yl)-7-morpholin-4-ylthieno[3,2-b]pyridine-2-carboxamide

5-[3-(3-methylphenyl)pyrazol-1-yl]-N-(1-methylpyrrolidin-3-yl)-7-morpholin-4-ylthieno[3,2-b]pyridine-2-carboxamide (PubChem CID 169032761) has the molecular formula C27H30N6O2S and a molecular weight of 502.64 g/mol. Its IUPAC name is 5-[3-(3-methylphenyl)pyrazol-1-yl]-N-(1-methylpyrrolidin-3-yl)-7-morpholin-4-ylthieno[3,2-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-[3-(3-methylphenyl)pyrazol-1-yl]-N-(1-methylpyrrolidin-3-yl)-7-morpholin-4-ylthieno[3,2-b]pyridine-2-carboxamide
PubChem CID169032761
Molecular FormulaC27H30N6O2S
Molecular Weight502.64 g/mol
Exact Mass502.22
IUPAC Name5-[3-(3-methylphenyl)pyrazol-1-yl]-N-(1-methylpyrrolidin-3-yl)-7-morpholin-4-ylthieno[3,2-b]pyridine-2-carboxamide
SMILESCc1cccc(-c2ccn(-c3cc(N4CCOCC4)c4sc(C(=O)NC5CCN(C)C5)cc4n3)n2)c1
InChIInChI=1S/C27H30N6O2S/c1-18-4-3-5-19(14-18)21-7-9-33(30-21)25-16-23(32-10-12-35-13-11-32)26-22(29-25)15-24(36-26)27(34)28-20-6-8-31(2)17-20/h3-5,7,9,14-16,20H,6,8,10-13,17H2,1-2H3,(H,28,34)
InChIKeyLZFVLLUVOXAOMQ-UHFFFAOYSA-N
XLogP3.73
TPSA75.52 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.64
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(3-methylphenyl)pyrazol-1-yl]-N-(1-methylpyrrolidin-3-yl)-7-morpholin-4-ylthieno[3,2-b]pyridine-2-carboxamide?
The IUPAC name of 5-[3-(3-methylphenyl)pyrazol-1-yl]-N-(1-methylpyrrolidin-3-yl)-7-morpholin-4-ylthieno[3,2-b]pyridine-2-carboxamide (CID 169032761) is 5-[3-(3-methylphenyl)pyrazol-1-yl]-N-(1-methylpyrrolidin-3-yl)-7-morpholin-4-ylthieno[3,2-b]pyridine-2-carboxamide.
What is the SMILES notation for 5-[3-(3-methylphenyl)pyrazol-1-yl]-N-(1-methylpyrrolidin-3-yl)-7-morpholin-4-ylthieno[3,2-b]pyridine-2-carboxamide?
The canonical SMILES for 5-[3-(3-methylphenyl)pyrazol-1-yl]-N-(1-methylpyrrolidin-3-yl)-7-morpholin-4-ylthieno[3,2-b]pyridine-2-carboxamide is Cc1cccc(-c2ccn(-c3cc(N4CCOCC4)c4sc(C(=O)NC5CCN(C)C5)cc4n3)n2)c1.
What is the InChIKey of 5-[3-(3-methylphenyl)pyrazol-1-yl]-N-(1-methylpyrrolidin-3-yl)-7-morpholin-4-ylthieno[3,2-b]pyridine-2-carboxamide?
The InChIKey is LZFVLLUVOXAOMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N6O2S/c1-18-4-3-5-19(14-18)21-7-9-33(30-21)25-16-23(32-10-12-35-13-11-32)26-22(29-25)15-24(36-26)27(34)28-20-6-8-31(2)17-20/h3-5,7,9,14-16,20H,6,8,10-13,17H2,1-2H3,(H,28,34).
What are the key properties of 5-[3-(3-methylphenyl)pyrazol-1-yl]-N-(1-methylpyrrolidin-3-yl)-7-morpholin-4-ylthieno[3,2-b]pyridine-2-carboxamide?
5-[3-(3-methylphenyl)pyrazol-1-yl]-N-(1-methylpyrrolidin-3-yl)-7-morpholin-4-ylthieno[3,2-b]pyridine-2-carboxamide has a molecular weight of 502.64 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(3-methylphenyl)pyrazol-1-yl]-N-(1-methylpyrrolidin-3-yl)-7-morpholin-4-ylthieno[3,2-b]pyridine-2-carboxamide is sourced from PubChem (CID 169032761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).