(3R)-N-[(2,5-dimethoxyphenyl)methyl]-1-(3-methyl-1-phenylpyrazolo[5,4-d][1,3]thiazol-5-yl)piperidine-3-carboxamide

C26H29N5O3S — CID 95090939

IUPAC(3R)-N-[(2,5-dimethoxyphenyl)methyl]-1-(3-methyl-1-phenylpyrazolo[5,4-d][1,3]thiazol-5-yl)piperidine-3-carboxamide
SMILESCOc1ccc(OC)c(CNC(=O)[C@@H]2CCCN(c3nc4c(s3)c(C)nn4-c3ccccc3)C2)c1
InChIInChI=1S/C26H29N5O3S/c1-17-23-24(31(29-17)20-9-5-4-6-10-20)28-26(35-23)30-13-7-8-18(16-30)25(32)27-15-19-14-21(33-2)11-12-22(19)34-3/h4-6,9-12,14,18H,7-8,13,15-16H2,1-3H3,(H,27,32)/t18-/m1/s1
InChIKeyYLOHHOHIOVSNLW-GOSISDBHSA-N
MW491.62 g/mol
LogP4.34
Rot. Bonds7

About (3R)-N-[(2,5-dimethoxyphenyl)methyl]-1-(3-methyl-1-phenylpyrazolo[5,4-d][1,3]thiazol-5-yl)piperidine-3-carboxamide

(3R)-N-[(2,5-dimethoxyphenyl)methyl]-1-(3-methyl-1-phenylpyrazolo[5,4-d][1,3]thiazol-5-yl)piperidine-3-carboxamide (PubChem CID 95090939) has the molecular formula C26H29N5O3S and a molecular weight of 491.62 g/mol. Its IUPAC name is (3R)-N-[(2,5-dimethoxyphenyl)methyl]-1-(3-methyl-1-phenylpyrazolo[5,4-d][1,3]thiazol-5-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[(2,5-dimethoxyphenyl)methyl]-1-(3-methyl-1-phenylpyrazolo[5,4-d][1,3]thiazol-5-yl)piperidine-3-carboxamide
PubChem CID95090939
Molecular FormulaC26H29N5O3S
Molecular Weight491.62 g/mol
Exact Mass491.20
IUPAC Name(3R)-N-[(2,5-dimethoxyphenyl)methyl]-1-(3-methyl-1-phenylpyrazolo[5,4-d][1,3]thiazol-5-yl)piperidine-3-carboxamide
SMILESCOc1ccc(OC)c(CNC(=O)[C@@H]2CCCN(c3nc4c(s3)c(C)nn4-c3ccccc3)C2)c1
InChIInChI=1S/C26H29N5O3S/c1-17-23-24(31(29-17)20-9-5-4-6-10-20)28-26(35-23)30-13-7-8-18(16-30)25(32)27-15-19-14-21(33-2)11-12-22(19)34-3/h4-6,9-12,14,18H,7-8,13,15-16H2,1-3H3,(H,27,32)/t18-/m1/s1
InChIKeyYLOHHOHIOVSNLW-GOSISDBHSA-N
XLogP4.34
TPSA81.51 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.62
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

1-[1-(4-methoxyphenyl)-3-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide
CID 53123028
(3R)-N-[(2-fluorophenyl)methyl]-1-[1-(4-methoxyphenyl)-3-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]piperidine-3-carboxamide
CID 95090641
N-[(3-methoxyphenyl)methyl]-1-[1-(4-methoxyphenyl)-3-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]piperidine-3-carboxamide
CID 53123022
(3S)-N-[(4-methylphenyl)methyl]-1-(3-methyl-1-phenylpyrazolo[5,4-d][1,3]thiazol-5-yl)piperidine-3-carboxamide
CID 95090887
1-[1-(4-fluorophenyl)-3-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]-N-[(4-methoxyphenyl)methyl]piperidine-3-carboxamide
CID 53123195
(3S)-1-[1-(4-methoxyphenyl)-3-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]-N-(2-methylphenyl)piperidine-3-carboxamide
CID 95090613
(3R)-N-cyclohexyl-1-[1-(4-methoxyphenyl)-3-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]piperidine-3-carboxamide
CID 95090637
1-[3-methyl-1-(4-methylphenyl)pyrazolo[5,4-d][1,3]thiazol-5-yl]-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 53123065
(3R)-1-[3-methyl-1-(4-methylphenyl)pyrazolo[5,4-d][1,3]thiazol-5-yl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 95113658
(3S)-N-(2,4-dimethylphenyl)-1-[1-(4-methoxyphenyl)-3-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]piperidine-3-carboxamide
CID 95090617
(3S)-N-[(4-fluorophenyl)methyl]-1-[1-(3-fluorophenyl)-3-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]piperidine-3-carboxamide
CID 95090838
(3R)-N-(3-chloro-4-methoxyphenyl)-1-[3-methyl-1-(4-methylphenyl)pyrazolo[5,4-d][1,3]thiazol-5-yl]piperidine-3-carboxamide
CID 95090761

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(2,5-dimethoxyphenyl)methyl]-1-(3-methyl-1-phenylpyrazolo[5,4-d][1,3]thiazol-5-yl)piperidine-3-carboxamide?
The IUPAC name of (3R)-N-[(2,5-dimethoxyphenyl)methyl]-1-(3-methyl-1-phenylpyrazolo[5,4-d][1,3]thiazol-5-yl)piperidine-3-carboxamide (CID 95090939) is (3R)-N-[(2,5-dimethoxyphenyl)methyl]-1-(3-methyl-1-phenylpyrazolo[5,4-d][1,3]thiazol-5-yl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[(2,5-dimethoxyphenyl)methyl]-1-(3-methyl-1-phenylpyrazolo[5,4-d][1,3]thiazol-5-yl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-N-[(2,5-dimethoxyphenyl)methyl]-1-(3-methyl-1-phenylpyrazolo[5,4-d][1,3]thiazol-5-yl)piperidine-3-carboxamide is COc1ccc(OC)c(CNC(=O)[C@@H]2CCCN(c3nc4c(s3)c(C)nn4-c3ccccc3)C2)c1.
What is the InChIKey of (3R)-N-[(2,5-dimethoxyphenyl)methyl]-1-(3-methyl-1-phenylpyrazolo[5,4-d][1,3]thiazol-5-yl)piperidine-3-carboxamide?
The InChIKey is YLOHHOHIOVSNLW-GOSISDBHSA-N. The full InChI is InChI=1S/C26H29N5O3S/c1-17-23-24(31(29-17)20-9-5-4-6-10-20)28-26(35-23)30-13-7-8-18(16-30)25(32)27-15-19-14-21(33-2)11-12-22(19)34-3/h4-6,9-12,14,18H,7-8,13,15-16H2,1-3H3,(H,27,32)/t18-/m1/s1.
What are the key properties of (3R)-N-[(2,5-dimethoxyphenyl)methyl]-1-(3-methyl-1-phenylpyrazolo[5,4-d][1,3]thiazol-5-yl)piperidine-3-carboxamide?
(3R)-N-[(2,5-dimethoxyphenyl)methyl]-1-(3-methyl-1-phenylpyrazolo[5,4-d][1,3]thiazol-5-yl)piperidine-3-carboxamide has a molecular weight of 491.62 g/mol, XLogP of 4.34, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(2,5-dimethoxyphenyl)methyl]-1-(3-methyl-1-phenylpyrazolo[5,4-d][1,3]thiazol-5-yl)piperidine-3-carboxamide is sourced from PubChem (CID 95090939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).