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

C27H33N5O3S — CID 53198678

IUPAC1-[3-methyl-5-(morpholine-4-carbonyl)-[1,2]thiazolo[5,4-b]pyridin-4-yl]-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide
SMILESCc1nsc2ncc(C(=O)N3CCOCC3)c(N3CCC(C(=O)Nc4ccc(C(C)C)cc4)CC3)c12
InChIInChI=1S/C27H33N5O3S/c1-17(2)19-4-6-21(7-5-19)29-25(33)20-8-10-31(11-9-20)24-22(27(34)32-12-14-35-15-13-32)16-28-26-23(24)18(3)30-36-26/h4-7,16-17,20H,8-15H2,1-3H3,(H,29,33)
InChIKeyFPRCXBJQCYCIJE-UHFFFAOYSA-N
MW507.66 g/mol
LogP4.45
Rot. Bonds5

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

1-[3-methyl-5-(morpholine-4-carbonyl)-[1,2]thiazolo[5,4-b]pyridin-4-yl]-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide (PubChem CID 53198678) has the molecular formula C27H33N5O3S and a molecular weight of 507.66 g/mol. Its IUPAC name is 1-[3-methyl-5-(morpholine-4-carbonyl)-[1,2]thiazolo[5,4-b]pyridin-4-yl]-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[3-methyl-5-(morpholine-4-carbonyl)-[1,2]thiazolo[5,4-b]pyridin-4-yl]-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide
PubChem CID53198678
Molecular FormulaC27H33N5O3S
Molecular Weight507.66 g/mol
Exact Mass507.23
IUPAC Name1-[3-methyl-5-(morpholine-4-carbonyl)-[1,2]thiazolo[5,4-b]pyridin-4-yl]-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide
SMILESCc1nsc2ncc(C(=O)N3CCOCC3)c(N3CCC(C(=O)Nc4ccc(C(C)C)cc4)CC3)c12
InChIInChI=1S/C27H33N5O3S/c1-17(2)19-4-6-21(7-5-19)29-25(33)20-8-10-31(11-9-20)24-22(27(34)32-12-14-35-15-13-32)16-28-26-23(24)18(3)30-36-26/h4-7,16-17,20H,8-15H2,1-3H3,(H,29,33)
InChIKeyFPRCXBJQCYCIJE-UHFFFAOYSA-N
XLogP4.45
TPSA87.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500507.66
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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-(4-chlorophenyl)-1-[3-methyl-5-(pyrrolidine-1-carbonyl)-[1,2]thiazolo[5,4-b]pyridin-4-yl]piperidine-4-carboxamide
CID 50848640
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-(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
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
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
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-[[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
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-methyl-2-morpholin-4-yl-N-(4-propan-2-ylphenyl)pyrimidine-5-carboxamide
CID 66504104
morpholin-4-yl-[1-(4-propan-2-ylphenyl)piperidin-4-yl]methanone
CID 166901168

Frequently Asked Questions

What is the IUPAC name of 1-[3-methyl-5-(morpholine-4-carbonyl)-[1,2]thiazolo[5,4-b]pyridin-4-yl]-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide?
The IUPAC name of 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) is 1-[3-methyl-5-(morpholine-4-carbonyl)-[1,2]thiazolo[5,4-b]pyridin-4-yl]-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[3-methyl-5-(morpholine-4-carbonyl)-[1,2]thiazolo[5,4-b]pyridin-4-yl]-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[3-methyl-5-(morpholine-4-carbonyl)-[1,2]thiazolo[5,4-b]pyridin-4-yl]-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide is Cc1nsc2ncc(C(=O)N3CCOCC3)c(N3CCC(C(=O)Nc4ccc(C(C)C)cc4)CC3)c12.
What is the InChIKey of 1-[3-methyl-5-(morpholine-4-carbonyl)-[1,2]thiazolo[5,4-b]pyridin-4-yl]-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide?
The InChIKey is FPRCXBJQCYCIJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N5O3S/c1-17(2)19-4-6-21(7-5-19)29-25(33)20-8-10-31(11-9-20)24-22(27(34)32-12-14-35-15-13-32)16-28-26-23(24)18(3)30-36-26/h4-7,16-17,20H,8-15H2,1-3H3,(H,29,33).
What are the key properties of 1-[3-methyl-5-(morpholine-4-carbonyl)-[1,2]thiazolo[5,4-b]pyridin-4-yl]-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide?
1-[3-methyl-5-(morpholine-4-carbonyl)-[1,2]thiazolo[5,4-b]pyridin-4-yl]-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide has a molecular weight of 507.66 g/mol, XLogP of 4.45, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-methyl-5-(morpholine-4-carbonyl)-[1,2]thiazolo[5,4-b]pyridin-4-yl]-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 53198678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).