(3S)-1-[5-(3,4-dimethoxyphenyl)-2-methylthieno[2,3-d]pyrimidin-4-yl]-N-pyridin-2-ylpiperidine-3-carboxamide

C26H27N5O3S — CID 51961127

IUPAC(3S)-1-[5-(3,4-dimethoxyphenyl)-2-methylthieno[2,3-d]pyrimidin-4-yl]-N-pyridin-2-ylpiperidine-3-carboxamide
SMILESCOc1ccc(-c2csc3nc(C)nc(N4CCC[C@H](C(=O)Nc5ccccn5)C4)c23)cc1OC
InChIInChI=1S/C26H27N5O3S/c1-16-28-24(31-12-6-7-18(14-31)25(32)30-22-8-4-5-11-27-22)23-19(15-35-26(23)29-16)17-9-10-20(33-2)21(13-17)34-3/h4-5,8-11,13,15,18H,6-7,12,14H2,1-3H3,(H,27,30,32)/t18-/m0/s1
InChIKeyFLTOCTVWOICYQP-SFHVURJKSA-N
MW489.60 g/mol
LogP4.93
Rot. Bonds6

About (3S)-1-[5-(3,4-dimethoxyphenyl)-2-methylthieno[2,3-d]pyrimidin-4-yl]-N-pyridin-2-ylpiperidine-3-carboxamide

(3S)-1-[5-(3,4-dimethoxyphenyl)-2-methylthieno[2,3-d]pyrimidin-4-yl]-N-pyridin-2-ylpiperidine-3-carboxamide (PubChem CID 51961127) has the molecular formula C26H27N5O3S and a molecular weight of 489.60 g/mol. Its IUPAC name is (3S)-1-[5-(3,4-dimethoxyphenyl)-2-methylthieno[2,3-d]pyrimidin-4-yl]-N-pyridin-2-ylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-[5-(3,4-dimethoxyphenyl)-2-methylthieno[2,3-d]pyrimidin-4-yl]-N-pyridin-2-ylpiperidine-3-carboxamide
PubChem CID51961127
Molecular FormulaC26H27N5O3S
Molecular Weight489.60 g/mol
Exact Mass489.18
IUPAC Name(3S)-1-[5-(3,4-dimethoxyphenyl)-2-methylthieno[2,3-d]pyrimidin-4-yl]-N-pyridin-2-ylpiperidine-3-carboxamide
SMILESCOc1ccc(-c2csc3nc(C)nc(N4CCC[C@H](C(=O)Nc5ccccn5)C4)c23)cc1OC
InChIInChI=1S/C26H27N5O3S/c1-16-28-24(31-12-6-7-18(14-31)25(32)30-22-8-4-5-11-27-22)23-19(15-35-26(23)29-16)17-9-10-20(33-2)21(13-17)34-3/h4-5,8-11,13,15,18H,6-7,12,14H2,1-3H3,(H,27,30,32)/t18-/m0/s1
InChIKeyFLTOCTVWOICYQP-SFHVURJKSA-N
XLogP4.93
TPSA89.47 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.60
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

5-(3,4-dimethoxyphenyl)-2-methyl-4-(4-methylpiperidin-1-yl)thieno[2,3-d]pyrimidine
CID 2460969
1-[4-[4-[5-(3,4-dimethoxyphenyl)-2-methylthieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]phenyl]ethanone
CID 4882649
methyl (3R)-1-(2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-3-carboxylate
CID 133484605
1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-pyridin-2-ylpiperidine-4-carboxamide
CID 55994634
(3R)-1-[5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]piperidine-3-carboxylic acid
CID 2509845
(3S)-N-(3,4-dimethoxyphenyl)-1-[3-(4-methylphenyl)sulfanylpyrazin-2-yl]piperidine-3-carboxamide
CID 92884187
(3R)-N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 52513892
(3S)-N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 52513893
(3,4-dimethoxyphenyl)-[1-(5-ethyl-2-methylpyrimidin-4-yl)piperidin-3-yl]methanone
CID 56861214
(3S)-1-[7-(3,4-dimethoxyphenyl)-4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl]piperidine-3-carboxylic acid
CID 136897069
(3S)-3-N-pyridin-2-ylpiperidine-1,3-dicarboxamide
CID 51927409
N-pyridin-2-yl-1-(1-pyrimidin-2-ylpiperidine-3-carbonyl)piperidine-4-carboxamide
CID 55808596

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[5-(3,4-dimethoxyphenyl)-2-methylthieno[2,3-d]pyrimidin-4-yl]-N-pyridin-2-ylpiperidine-3-carboxamide?
The IUPAC name of (3S)-1-[5-(3,4-dimethoxyphenyl)-2-methylthieno[2,3-d]pyrimidin-4-yl]-N-pyridin-2-ylpiperidine-3-carboxamide (CID 51961127) is (3S)-1-[5-(3,4-dimethoxyphenyl)-2-methylthieno[2,3-d]pyrimidin-4-yl]-N-pyridin-2-ylpiperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-[5-(3,4-dimethoxyphenyl)-2-methylthieno[2,3-d]pyrimidin-4-yl]-N-pyridin-2-ylpiperidine-3-carboxamide?
The canonical SMILES for (3S)-1-[5-(3,4-dimethoxyphenyl)-2-methylthieno[2,3-d]pyrimidin-4-yl]-N-pyridin-2-ylpiperidine-3-carboxamide is COc1ccc(-c2csc3nc(C)nc(N4CCC[C@H](C(=O)Nc5ccccn5)C4)c23)cc1OC.
What is the InChIKey of (3S)-1-[5-(3,4-dimethoxyphenyl)-2-methylthieno[2,3-d]pyrimidin-4-yl]-N-pyridin-2-ylpiperidine-3-carboxamide?
The InChIKey is FLTOCTVWOICYQP-SFHVURJKSA-N. The full InChI is InChI=1S/C26H27N5O3S/c1-16-28-24(31-12-6-7-18(14-31)25(32)30-22-8-4-5-11-27-22)23-19(15-35-26(23)29-16)17-9-10-20(33-2)21(13-17)34-3/h4-5,8-11,13,15,18H,6-7,12,14H2,1-3H3,(H,27,30,32)/t18-/m0/s1.
What are the key properties of (3S)-1-[5-(3,4-dimethoxyphenyl)-2-methylthieno[2,3-d]pyrimidin-4-yl]-N-pyridin-2-ylpiperidine-3-carboxamide?
(3S)-1-[5-(3,4-dimethoxyphenyl)-2-methylthieno[2,3-d]pyrimidin-4-yl]-N-pyridin-2-ylpiperidine-3-carboxamide has a molecular weight of 489.60 g/mol, XLogP of 4.93, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[5-(3,4-dimethoxyphenyl)-2-methylthieno[2,3-d]pyrimidin-4-yl]-N-pyridin-2-ylpiperidine-3-carboxamide is sourced from PubChem (CID 51961127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).