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

C24H26ClN5O2S — CID 50848640

IUPACN-(4-chlorophenyl)-1-[3-methyl-5-(pyrrolidine-1-carbonyl)-[1,2]thiazolo[5,4-b]pyridin-4-yl]piperidine-4-carboxamide
SMILESCc1nsc2ncc(C(=O)N3CCCC3)c(N3CCC(C(=O)Nc4ccc(Cl)cc4)CC3)c12
InChIInChI=1S/C24H26ClN5O2S/c1-15-20-21(19(14-26-23(20)33-28-15)24(32)30-10-2-3-11-30)29-12-8-16(9-13-29)22(31)27-18-6-4-17(25)5-7-18/h4-7,14,16H,2-3,8-13H2,1H3,(H,27,31)
InChIKeyQXCNKDPJNTXNRO-UHFFFAOYSA-N
MW484.03 g/mol
LogP4.74
Rot. Bonds4

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

N-(4-chlorophenyl)-1-[3-methyl-5-(pyrrolidine-1-carbonyl)-[1,2]thiazolo[5,4-b]pyridin-4-yl]piperidine-4-carboxamide (PubChem CID 50848640) has the molecular formula C24H26ClN5O2S and a molecular weight of 484.03 g/mol. Its IUPAC name is N-(4-chlorophenyl)-1-[3-methyl-5-(pyrrolidine-1-carbonyl)-[1,2]thiazolo[5,4-b]pyridin-4-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-1-[3-methyl-5-(pyrrolidine-1-carbonyl)-[1,2]thiazolo[5,4-b]pyridin-4-yl]piperidine-4-carboxamide
PubChem CID50848640
Molecular FormulaC24H26ClN5O2S
Molecular Weight484.03 g/mol
Exact Mass483.15
IUPAC NameN-(4-chlorophenyl)-1-[3-methyl-5-(pyrrolidine-1-carbonyl)-[1,2]thiazolo[5,4-b]pyridin-4-yl]piperidine-4-carboxamide
SMILESCc1nsc2ncc(C(=O)N3CCCC3)c(N3CCC(C(=O)Nc4ccc(Cl)cc4)CC3)c12
InChIInChI=1S/C24H26ClN5O2S/c1-15-20-21(19(14-26-23(20)33-28-15)24(32)30-10-2-3-11-30)29-12-8-16(9-13-29)22(31)27-18-6-4-17(25)5-7-18/h4-7,14,16H,2-3,8-13H2,1H3,(H,27,31)
InChIKeyQXCNKDPJNTXNRO-UHFFFAOYSA-N
XLogP4.74
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.03
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[3-methyl-5-(piperidine-1-carbonyl)-[1,2]thiazolo[5,4-b]pyridin-4-yl]-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide
CID 53198598
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
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-(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-[(4-methylphenyl)methyl]-1-[3-methyl-5-(pyrrolidine-1-carbonyl)-[1,2]thiazolo[5,4-b]pyridin-4-yl]piperidine-4-carboxamide
CID 50848835
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
N-[[4-(dimethylamino)phenyl]methyl]-1-[3-methyl-5-(pyrrolidine-1-carbonyl)-[1,2]thiazolo[5,4-b]pyridin-4-yl]piperidine-4-carboxamide
CID 53198565
1-[3-methyl-5-(morpholine-4-carbonyl)-[1,2]thiazolo[5,4-b]pyridin-4-yl]-N-(2,4,6-trimethylphenyl)piperidine-4-carboxamide
CID 53198674
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
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,N-diethyl-3-methyl-4-[4-[(2,4,6-trimethylphenyl)carbamoyl]piperidin-1-yl]-[1,2]thiazolo[5,4-b]pyridine-5-carboxamide
CID 53198719
4-[(4-chlorophenyl)carbamoyl]piperidine-1-carboxylic acid
CID 66651371

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-1-[3-methyl-5-(pyrrolidine-1-carbonyl)-[1,2]thiazolo[5,4-b]pyridin-4-yl]piperidine-4-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-1-[3-methyl-5-(pyrrolidine-1-carbonyl)-[1,2]thiazolo[5,4-b]pyridin-4-yl]piperidine-4-carboxamide (CID 50848640) is N-(4-chlorophenyl)-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-(4-chlorophenyl)-1-[3-methyl-5-(pyrrolidine-1-carbonyl)-[1,2]thiazolo[5,4-b]pyridin-4-yl]piperidine-4-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-1-[3-methyl-5-(pyrrolidine-1-carbonyl)-[1,2]thiazolo[5,4-b]pyridin-4-yl]piperidine-4-carboxamide is Cc1nsc2ncc(C(=O)N3CCCC3)c(N3CCC(C(=O)Nc4ccc(Cl)cc4)CC3)c12.
What is the InChIKey of N-(4-chlorophenyl)-1-[3-methyl-5-(pyrrolidine-1-carbonyl)-[1,2]thiazolo[5,4-b]pyridin-4-yl]piperidine-4-carboxamide?
The InChIKey is QXCNKDPJNTXNRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClN5O2S/c1-15-20-21(19(14-26-23(20)33-28-15)24(32)30-10-2-3-11-30)29-12-8-16(9-13-29)22(31)27-18-6-4-17(25)5-7-18/h4-7,14,16H,2-3,8-13H2,1H3,(H,27,31).
What are the key properties of N-(4-chlorophenyl)-1-[3-methyl-5-(pyrrolidine-1-carbonyl)-[1,2]thiazolo[5,4-b]pyridin-4-yl]piperidine-4-carboxamide?
N-(4-chlorophenyl)-1-[3-methyl-5-(pyrrolidine-1-carbonyl)-[1,2]thiazolo[5,4-b]pyridin-4-yl]piperidine-4-carboxamide has a molecular weight of 484.03 g/mol, XLogP of 4.74, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-1-[3-methyl-5-(pyrrolidine-1-carbonyl)-[1,2]thiazolo[5,4-b]pyridin-4-yl]piperidine-4-carboxamide is sourced from PubChem (CID 50848640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).