N-(5-chloro-2-methoxyphenyl)-1-[3-methyl-5-(pyrrolidine-1-carbonyl)-[1,2]thiazolo[5,4-b]pyridin-4-yl]piperidine-4-carboxamide

C25H28ClN5O3S — CID 50848674

IUPACN-(5-chloro-2-methoxyphenyl)-1-[3-methyl-5-(pyrrolidine-1-carbonyl)-[1,2]thiazolo[5,4-b]pyridin-4-yl]piperidine-4-carboxamide
SMILESCOc1ccc(Cl)cc1NC(=O)C1CCN(c2c(C(=O)N3CCCC3)cnc3snc(C)c23)CC1
InChIInChI=1S/C25H28ClN5O3S/c1-15-21-22(18(14-27-24(21)35-29-15)25(33)31-9-3-4-10-31)30-11-7-16(8-12-30)23(32)28-19-13-17(26)5-6-20(19)34-2/h5-6,13-14,16H,3-4,7-12H2,1-2H3,(H,28,32)
InChIKeyONTINMHHWRJEJV-UHFFFAOYSA-N
MW514.05 g/mol
LogP4.75
Rot. Bonds5

About N-(5-chloro-2-methoxyphenyl)-1-[3-methyl-5-(pyrrolidine-1-carbonyl)-[1,2]thiazolo[5,4-b]pyridin-4-yl]piperidine-4-carboxamide

N-(5-chloro-2-methoxyphenyl)-1-[3-methyl-5-(pyrrolidine-1-carbonyl)-[1,2]thiazolo[5,4-b]pyridin-4-yl]piperidine-4-carboxamide (PubChem CID 50848674) has the molecular formula C25H28ClN5O3S and a molecular weight of 514.05 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-1-[3-methyl-5-(pyrrolidine-1-carbonyl)-[1,2]thiazolo[5,4-b]pyridin-4-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-1-[3-methyl-5-(pyrrolidine-1-carbonyl)-[1,2]thiazolo[5,4-b]pyridin-4-yl]piperidine-4-carboxamide
PubChem CID50848674
Molecular FormulaC25H28ClN5O3S
Molecular Weight514.05 g/mol
Exact Mass513.16
IUPAC NameN-(5-chloro-2-methoxyphenyl)-1-[3-methyl-5-(pyrrolidine-1-carbonyl)-[1,2]thiazolo[5,4-b]pyridin-4-yl]piperidine-4-carboxamide
SMILESCOc1ccc(Cl)cc1NC(=O)C1CCN(c2c(C(=O)N3CCCC3)cnc3snc(C)c23)CC1
InChIInChI=1S/C25H28ClN5O3S/c1-15-21-22(18(14-27-24(21)35-29-15)25(33)31-9-3-4-10-31)30-11-7-16(8-12-30)23(32)28-19-13-17(26)5-6-20(19)34-2/h5-6,13-14,16H,3-4,7-12H2,1-2H3,(H,28,32)
InChIKeyONTINMHHWRJEJV-UHFFFAOYSA-N
XLogP4.75
TPSA87.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500514.05
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-[4-[(5-chloro-2-methoxyphenyl)carbamoyl]piperidin-1-yl]-N,N-diethyl-3-methyl-[1,2]thiazolo[5,4-b]pyridine-5-carboxamide
CID 53198727
N-(4-chlorophenyl)-1-[3-methyl-5-(pyrrolidine-1-carbonyl)-[1,2]thiazolo[5,4-b]pyridin-4-yl]piperidine-4-carboxamide
CID 50848640
4-[4-[(2,5-dimethoxyphenyl)carbamoyl]piperidin-1-yl]-N,N-diethyl-3-methyl-[1,2]thiazolo[5,4-b]pyridine-5-carboxamide
CID 53198716
N-(4-methoxyphenyl)-1-[3-methyl-5-(4-methylpiperidine-1-carbonyl)-[1,2]thiazolo[5,4-b]pyridin-4-yl]piperidine-4-carboxamide
CID 53198609
N-(2,6-dimethylphenyl)-1-[3-methyl-5-(4-methylpiperidine-1-carbonyl)-[1,2]thiazolo[5,4-b]pyridin-4-yl]piperidine-4-carboxamide
CID 53198617
1-[3-methyl-5-(morpholine-4-carbonyl)-[1,2]thiazolo[5,4-b]pyridin-4-yl]-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide
CID 53198678
N-(5-chloro-2-methoxyphenyl)-1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidine-4-carboxamide
CID 20929267
N-(5-chloro-2-methoxyphenyl)-1-methylpiperidine-4-carboxamide
CID 95968068
N-(5-chloro-2-methoxyphenyl)-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide
CID 3223204
N-(5-chloro-2-methoxyphenyl)-1-phenylpiperidine-4-carboxamide
CID 17152311
4-[4-[(3,4-dimethylphenyl)carbamoyl]piperidin-1-yl]-N,N-diethyl-3-methyl-[1,2]thiazolo[5,4-b]pyridine-5-carboxamide
CID 53198717
N-(5-chloro-2-methoxyphenyl)-4-(4-methylpiperazine-1-carbonyl)cyclohexane-1-carboxamide
CID 109147444

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-1-[3-methyl-5-(pyrrolidine-1-carbonyl)-[1,2]thiazolo[5,4-b]pyridin-4-yl]piperidine-4-carboxamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-1-[3-methyl-5-(pyrrolidine-1-carbonyl)-[1,2]thiazolo[5,4-b]pyridin-4-yl]piperidine-4-carboxamide (CID 50848674) is N-(5-chloro-2-methoxyphenyl)-1-[3-methyl-5-(pyrrolidine-1-carbonyl)-[1,2]thiazolo[5,4-b]pyridin-4-yl]piperidine-4-carboxamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-1-[3-methyl-5-(pyrrolidine-1-carbonyl)-[1,2]thiazolo[5,4-b]pyridin-4-yl]piperidine-4-carboxamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-1-[3-methyl-5-(pyrrolidine-1-carbonyl)-[1,2]thiazolo[5,4-b]pyridin-4-yl]piperidine-4-carboxamide is COc1ccc(Cl)cc1NC(=O)C1CCN(c2c(C(=O)N3CCCC3)cnc3snc(C)c23)CC1.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-1-[3-methyl-5-(pyrrolidine-1-carbonyl)-[1,2]thiazolo[5,4-b]pyridin-4-yl]piperidine-4-carboxamide?
The InChIKey is ONTINMHHWRJEJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28ClN5O3S/c1-15-21-22(18(14-27-24(21)35-29-15)25(33)31-9-3-4-10-31)30-11-7-16(8-12-30)23(32)28-19-13-17(26)5-6-20(19)34-2/h5-6,13-14,16H,3-4,7-12H2,1-2H3,(H,28,32).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-1-[3-methyl-5-(pyrrolidine-1-carbonyl)-[1,2]thiazolo[5,4-b]pyridin-4-yl]piperidine-4-carboxamide?
N-(5-chloro-2-methoxyphenyl)-1-[3-methyl-5-(pyrrolidine-1-carbonyl)-[1,2]thiazolo[5,4-b]pyridin-4-yl]piperidine-4-carboxamide has a molecular weight of 514.05 g/mol, XLogP of 4.75, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-1-[3-methyl-5-(pyrrolidine-1-carbonyl)-[1,2]thiazolo[5,4-b]pyridin-4-yl]piperidine-4-carboxamide is sourced from PubChem (CID 50848674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).