3-amino-N-[2-[3-[1-(2-methoxyethyl)pyrazol-4-yl]-4-piperidin-1-ylphenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide

C28H34N6O2S — CID 157487527

IUPAC3-amino-N-[2-[3-[1-(2-methoxyethyl)pyrazol-4-yl]-4-piperidin-1-ylphenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide
SMILESCOCCn1cc(-c2cc(CCNC(=O)c3sc4nc(C)ccc4c3N)ccc2N2CCCCC2)cn1
InChIInChI=1S/C28H34N6O2S/c1-19-6-8-22-25(29)26(37-28(22)32-19)27(35)30-11-10-20-7-9-24(33-12-4-3-5-13-33)23(16-20)21-17-31-34(18-21)14-15-36-2/h6-9,16-18H,3-5,10-15,29H2,1-2H3,(H,30,35)
InChIKeyOOSLSUSNFMFIDH-UHFFFAOYSA-N
MW518.69 g/mol
LogP4.66
Rot. Bonds9

About 3-amino-N-[2-[3-[1-(2-methoxyethyl)pyrazol-4-yl]-4-piperidin-1-ylphenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide

3-amino-N-[2-[3-[1-(2-methoxyethyl)pyrazol-4-yl]-4-piperidin-1-ylphenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide (PubChem CID 157487527) has the molecular formula C28H34N6O2S and a molecular weight of 518.69 g/mol. Its IUPAC name is 3-amino-N-[2-[3-[1-(2-methoxyethyl)pyrazol-4-yl]-4-piperidin-1-ylphenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[2-[3-[1-(2-methoxyethyl)pyrazol-4-yl]-4-piperidin-1-ylphenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide
PubChem CID157487527
Molecular FormulaC28H34N6O2S
Molecular Weight518.69 g/mol
Exact Mass518.25
IUPAC Name3-amino-N-[2-[3-[1-(2-methoxyethyl)pyrazol-4-yl]-4-piperidin-1-ylphenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide
SMILESCOCCn1cc(-c2cc(CCNC(=O)c3sc4nc(C)ccc4c3N)ccc2N2CCCCC2)cn1
InChIInChI=1S/C28H34N6O2S/c1-19-6-8-22-25(29)26(37-28(22)32-19)27(35)30-11-10-20-7-9-24(33-12-4-3-5-13-33)23(16-20)21-17-31-34(18-21)14-15-36-2/h6-9,16-18H,3-5,10-15,29H2,1-2H3,(H,30,35)
InChIKeyOOSLSUSNFMFIDH-UHFFFAOYSA-N
XLogP4.66
TPSA98.30 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500518.69
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

3-amino-N-(4-methylphenyl)-6-pyridin-4-ylthieno[2,3-b]pyridine-2-carboxamide
CID 1086314
13-(4-Methylphenyl)-10-thia-3,4,8,13,15-pentazatetracyclo[7.7.0.02,6.011,16]hexadeca-1,4,6,8,11(16),14-hexaen-12-one
CID 16038352
5-amino-3,4-dimethyl-N-[(4-pyridin-3-ylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide
CID 89777104
5-amino-N-[[4-(2-fluoro-3-pyridinyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide
CID 89777151
5-amino-3,4-dimethyl-N-[(4-pyridin-4-ylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide
CID 89777258
5-amino-N-[[4-(5-fluoro-3-pyridinyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide
CID 89777316
5-amino-N-[[4-(6-fluoro-3-pyridinyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide
CID 89777437
5-amino-N-[[4-(2-fluoro-4-pyridinyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide
CID 89777463
5-amino-N-[[4-(6-fluoro-5-methyl-3-pyridinyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide
CID 89777513
8-[5-(1-Methylindazol-5-yl)thieno[2,3-b]pyridin-4-yl]-2,8-diazaspiro[4.5]decan-1-one
CID 156409233
2-methyl-N-[4-[2-[2-(trifluoromethoxymethyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]indazole-4-carboxamide
CID 138671652
(3-Amino-6-methyl-thieno[2,3-b]quinolin-2-yl)-morpholin-4-yl-methanone
CID 646043

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-[3-[1-(2-methoxyethyl)pyrazol-4-yl]-4-piperidin-1-ylphenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-N-[2-[3-[1-(2-methoxyethyl)pyrazol-4-yl]-4-piperidin-1-ylphenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide (CID 157487527) is 3-amino-N-[2-[3-[1-(2-methoxyethyl)pyrazol-4-yl]-4-piperidin-1-ylphenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[2-[3-[1-(2-methoxyethyl)pyrazol-4-yl]-4-piperidin-1-ylphenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-[2-[3-[1-(2-methoxyethyl)pyrazol-4-yl]-4-piperidin-1-ylphenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide is COCCn1cc(-c2cc(CCNC(=O)c3sc4nc(C)ccc4c3N)ccc2N2CCCCC2)cn1.
What is the InChIKey of 3-amino-N-[2-[3-[1-(2-methoxyethyl)pyrazol-4-yl]-4-piperidin-1-ylphenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is OOSLSUSNFMFIDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N6O2S/c1-19-6-8-22-25(29)26(37-28(22)32-19)27(35)30-11-10-20-7-9-24(33-12-4-3-5-13-33)23(16-20)21-17-31-34(18-21)14-15-36-2/h6-9,16-18H,3-5,10-15,29H2,1-2H3,(H,30,35).
What are the key properties of 3-amino-N-[2-[3-[1-(2-methoxyethyl)pyrazol-4-yl]-4-piperidin-1-ylphenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide?
3-amino-N-[2-[3-[1-(2-methoxyethyl)pyrazol-4-yl]-4-piperidin-1-ylphenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 518.69 g/mol, XLogP of 4.66, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-[3-[1-(2-methoxyethyl)pyrazol-4-yl]-4-piperidin-1-ylphenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 157487527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).