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

C26H27N5O3S — CID 169032571

IUPAC5-[3-(3-methylphenyl)pyrazol-1-yl]-7-morpholin-4-yl-N-(oxolan-3-yl)thieno[3,2-b]pyridine-2-carboxamide
SMILESCc1cccc(-c2ccn(-c3cc(N4CCOCC4)c4sc(C(=O)NC5CCOC5)cc4n3)n2)c1
InChIInChI=1S/C26H27N5O3S/c1-17-3-2-4-18(13-17)20-5-7-31(29-20)24-15-22(30-8-11-33-12-9-30)25-21(28-24)14-23(35-25)26(32)27-19-6-10-34-16-19/h2-5,7,13-15,19H,6,8-12,16H2,1H3,(H,27,32)
InChIKeyZWELLTCJPXPYDJ-UHFFFAOYSA-N
MW489.60 g/mol
LogP3.81
Rot. Bonds5

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

5-[3-(3-methylphenyl)pyrazol-1-yl]-7-morpholin-4-yl-N-(oxolan-3-yl)thieno[3,2-b]pyridine-2-carboxamide (PubChem CID 169032571) has the molecular formula C26H27N5O3S and a molecular weight of 489.60 g/mol. Its IUPAC name is 5-[3-(3-methylphenyl)pyrazol-1-yl]-7-morpholin-4-yl-N-(oxolan-3-yl)thieno[3,2-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-[3-(3-methylphenyl)pyrazol-1-yl]-7-morpholin-4-yl-N-(oxolan-3-yl)thieno[3,2-b]pyridine-2-carboxamide
PubChem CID169032571
Molecular FormulaC26H27N5O3S
Molecular Weight489.60 g/mol
Exact Mass489.18
IUPAC Name5-[3-(3-methylphenyl)pyrazol-1-yl]-7-morpholin-4-yl-N-(oxolan-3-yl)thieno[3,2-b]pyridine-2-carboxamide
SMILESCc1cccc(-c2ccn(-c3cc(N4CCOCC4)c4sc(C(=O)NC5CCOC5)cc4n3)n2)c1
InChIInChI=1S/C26H27N5O3S/c1-17-3-2-4-18(13-17)20-5-7-31(29-20)24-15-22(30-8-11-33-12-9-30)25-21(28-24)14-23(35-25)26(32)27-19-6-10-34-16-19/h2-5,7,13-15,19H,6,8-12,16H2,1H3,(H,27,32)
InChIKeyZWELLTCJPXPYDJ-UHFFFAOYSA-N
XLogP3.81
TPSA81.51 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.60
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

5-[3-(3-methylphenyl)pyrazol-1-yl]-N-(1-methylpyrrolidin-3-yl)-7-morpholin-4-ylthieno[3,2-b]pyridine-2-carboxamide
CID 169032761
N,N-dimethyl-1-[5-[3-(3-methylphenyl)pyrazol-1-yl]-7-morpholin-4-yl-[1,3]thiazolo[4,5-b]pyridin-2-yl]piperidin-4-amine
CID 169032630
N-cyclopropyl-2-[3-(3-methylphenyl)pyrazol-1-yl]-4-morpholin-4-ylfuro[3,2-d]pyrimidine-6-carboxamide
CID 168728145
5-chloro-7-morpholin-4-yl-N-(oxetan-3-yl)thieno[3,2-b]pyridine-2-carboxamide
CID 169032492
4-[3-methyl-5-[3-(3-methylphenyl)pyrazol-1-yl]-2-[(4-methylsulfonylpiperazin-1-yl)methyl]thieno[3,2-b]pyridin-7-yl]morpholine
CID 169032774
4-[5-[3-(3-methylphenyl)pyrazol-1-yl]-1H-imidazo[4,5-b]pyridin-7-yl]morpholine
CID 172568284
4-[5-[3-(2-methyl-4-pyridinyl)pyrazol-1-yl]-2-(morpholin-4-ylmethyl)thieno[3,2-b]pyridin-7-yl]morpholine
CID 169032693
3-[5-[3-(3-methylphenyl)pyrazol-1-yl]-7-morpholin-4-ylfuro[3,2-b]pyridin-2-yl]cyclopent-2-en-1-one
CID 166156101
5-[5-[3-(3-methylphenyl)pyrazol-1-yl]-7-morpholin-4-ylimidazo[4,5-b]pyridin-3-yl]-1,3-diazinan-2-one
CID 172568603
N-[(1R)-2-methyl-1-[3-methyl-5-[3-(3-methylphenyl)pyrazol-1-yl]-7-morpholin-4-ylimidazo[4,5-b]pyridin-2-yl]propyl]acetamide
CID 172568525
7-morpholin-4-yl-5-(3-phenylpyrazol-1-yl)furo[3,2-b]pyridine-2-carboxylic acid
CID 166156177
5-[3-(3-methylphenyl)pyrazol-1-yl]-7-morpholin-4-yl-N-propan-2-ylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 166165027

Frequently Asked Questions

What is the IUPAC name of 5-[3-(3-methylphenyl)pyrazol-1-yl]-7-morpholin-4-yl-N-(oxolan-3-yl)thieno[3,2-b]pyridine-2-carboxamide?
The IUPAC name of 5-[3-(3-methylphenyl)pyrazol-1-yl]-7-morpholin-4-yl-N-(oxolan-3-yl)thieno[3,2-b]pyridine-2-carboxamide (CID 169032571) is 5-[3-(3-methylphenyl)pyrazol-1-yl]-7-morpholin-4-yl-N-(oxolan-3-yl)thieno[3,2-b]pyridine-2-carboxamide.
What is the SMILES notation for 5-[3-(3-methylphenyl)pyrazol-1-yl]-7-morpholin-4-yl-N-(oxolan-3-yl)thieno[3,2-b]pyridine-2-carboxamide?
The canonical SMILES for 5-[3-(3-methylphenyl)pyrazol-1-yl]-7-morpholin-4-yl-N-(oxolan-3-yl)thieno[3,2-b]pyridine-2-carboxamide is Cc1cccc(-c2ccn(-c3cc(N4CCOCC4)c4sc(C(=O)NC5CCOC5)cc4n3)n2)c1.
What is the InChIKey of 5-[3-(3-methylphenyl)pyrazol-1-yl]-7-morpholin-4-yl-N-(oxolan-3-yl)thieno[3,2-b]pyridine-2-carboxamide?
The InChIKey is ZWELLTCJPXPYDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O3S/c1-17-3-2-4-18(13-17)20-5-7-31(29-20)24-15-22(30-8-11-33-12-9-30)25-21(28-24)14-23(35-25)26(32)27-19-6-10-34-16-19/h2-5,7,13-15,19H,6,8-12,16H2,1H3,(H,27,32).
What are the key properties of 5-[3-(3-methylphenyl)pyrazol-1-yl]-7-morpholin-4-yl-N-(oxolan-3-yl)thieno[3,2-b]pyridine-2-carboxamide?
5-[3-(3-methylphenyl)pyrazol-1-yl]-7-morpholin-4-yl-N-(oxolan-3-yl)thieno[3,2-b]pyridine-2-carboxamide has a molecular weight of 489.60 g/mol, XLogP of 3.81, 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]-7-morpholin-4-yl-N-(oxolan-3-yl)thieno[3,2-b]pyridine-2-carboxamide is sourced from PubChem (CID 169032571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).