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

C26H31N5O2S — CID 50848835

IUPACN-[(4-methylphenyl)methyl]-1-[3-methyl-5-(pyrrolidine-1-carbonyl)-[1,2]thiazolo[5,4-b]pyridin-4-yl]piperidine-4-carboxamide
SMILESCc1ccc(CNC(=O)C2CCN(c3c(C(=O)N4CCCC4)cnc4snc(C)c34)CC2)cc1
InChIInChI=1S/C26H31N5O2S/c1-17-5-7-19(8-6-17)15-27-24(32)20-9-13-30(14-10-20)23-21(26(33)31-11-3-4-12-31)16-28-25-22(23)18(2)29-34-25/h5-8,16,20H,3-4,9-15H2,1-2H3,(H,27,32)
InChIKeyBMCQJNLPKLQORJ-UHFFFAOYSA-N
MW477.63 g/mol
LogP4.08
Rot. Bonds5

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

N-[(4-methylphenyl)methyl]-1-[3-methyl-5-(pyrrolidine-1-carbonyl)-[1,2]thiazolo[5,4-b]pyridin-4-yl]piperidine-4-carboxamide (PubChem CID 50848835) has the molecular formula C26H31N5O2S and a molecular weight of 477.63 g/mol. Its IUPAC name is N-[(4-methylphenyl)methyl]-1-[3-methyl-5-(pyrrolidine-1-carbonyl)-[1,2]thiazolo[5,4-b]pyridin-4-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(4-methylphenyl)methyl]-1-[3-methyl-5-(pyrrolidine-1-carbonyl)-[1,2]thiazolo[5,4-b]pyridin-4-yl]piperidine-4-carboxamide
PubChem CID50848835
Molecular FormulaC26H31N5O2S
Molecular Weight477.63 g/mol
Exact Mass477.22
IUPAC NameN-[(4-methylphenyl)methyl]-1-[3-methyl-5-(pyrrolidine-1-carbonyl)-[1,2]thiazolo[5,4-b]pyridin-4-yl]piperidine-4-carboxamide
SMILESCc1ccc(CNC(=O)C2CCN(c3c(C(=O)N4CCCC4)cnc4snc(C)c34)CC2)cc1
InChIInChI=1S/C26H31N5O2S/c1-17-5-7-19(8-6-17)15-27-24(32)20-9-13-30(14-10-20)23-21(26(33)31-11-3-4-12-31)16-28-25-22(23)18(2)29-34-25/h5-8,16,20H,3-4,9-15H2,1-2H3,(H,27,32)
InChIKeyBMCQJNLPKLQORJ-UHFFFAOYSA-N
XLogP4.08
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.63
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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
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-(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,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
1-(1-aminocyclopropanecarbonyl)-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide;hydrochloride
CID 119759271
N-[(4-methylphenyl)methyl]-1-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)piperidine-4-carboxamide
CID 133356293
1-N-cyclohexyl-4-N-[(4-methylphenyl)methyl]piperidine-1,4-dicarboxamide
CID 1083731
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-methylphenyl)methyl]-1-thieno[2,3-d]pyrimidin-4-ylpiperidine-4-carboxamide
CID 133356434
4-methyl-N-[(4-methylphenyl)methyl]-2-piperidin-1-ylpyrimidine-5-carboxamide
CID 66505324

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylphenyl)methyl]-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-methylphenyl)methyl]-1-[3-methyl-5-(pyrrolidine-1-carbonyl)-[1,2]thiazolo[5,4-b]pyridin-4-yl]piperidine-4-carboxamide (CID 50848835) is N-[(4-methylphenyl)methyl]-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-methylphenyl)methyl]-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-methylphenyl)methyl]-1-[3-methyl-5-(pyrrolidine-1-carbonyl)-[1,2]thiazolo[5,4-b]pyridin-4-yl]piperidine-4-carboxamide is Cc1ccc(CNC(=O)C2CCN(c3c(C(=O)N4CCCC4)cnc4snc(C)c34)CC2)cc1.
What is the InChIKey of N-[(4-methylphenyl)methyl]-1-[3-methyl-5-(pyrrolidine-1-carbonyl)-[1,2]thiazolo[5,4-b]pyridin-4-yl]piperidine-4-carboxamide?
The InChIKey is BMCQJNLPKLQORJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N5O2S/c1-17-5-7-19(8-6-17)15-27-24(32)20-9-13-30(14-10-20)23-21(26(33)31-11-3-4-12-31)16-28-25-22(23)18(2)29-34-25/h5-8,16,20H,3-4,9-15H2,1-2H3,(H,27,32).
What are the key properties of N-[(4-methylphenyl)methyl]-1-[3-methyl-5-(pyrrolidine-1-carbonyl)-[1,2]thiazolo[5,4-b]pyridin-4-yl]piperidine-4-carboxamide?
N-[(4-methylphenyl)methyl]-1-[3-methyl-5-(pyrrolidine-1-carbonyl)-[1,2]thiazolo[5,4-b]pyridin-4-yl]piperidine-4-carboxamide has a molecular weight of 477.63 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylphenyl)methyl]-1-[3-methyl-5-(pyrrolidine-1-carbonyl)-[1,2]thiazolo[5,4-b]pyridin-4-yl]piperidine-4-carboxamide is sourced from PubChem (CID 50848835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).