1-tert-butyl-6-cyclopropyl-N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide

C25H34N6O2S — CID 55758611

IUPAC1-tert-butyl-6-cyclopropyl-N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)Nc3nc(CN4CC(C)OC(C)C4)cs3)c12
InChIInChI=1S/C25H34N6O2S/c1-14-10-30(11-15(2)33-14)12-18-13-34-24(26-18)28-23(32)19-9-20(17-7-8-17)27-22-21(19)16(3)29-31(22)25(4,5)6/h9,13-15,17H,7-8,10-12H2,1-6H3,(H,26,28,32)
InChIKeyIWIIAJJDNRCEOP-UHFFFAOYSA-N
MW482.65 g/mol
LogP4.69
Rot. Bonds5

About 1-tert-butyl-6-cyclopropyl-N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide

1-tert-butyl-6-cyclopropyl-N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 55758611) has the molecular formula C25H34N6O2S and a molecular weight of 482.65 g/mol. Its IUPAC name is 1-tert-butyl-6-cyclopropyl-N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name1-tert-butyl-6-cyclopropyl-N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID55758611
Molecular FormulaC25H34N6O2S
Molecular Weight482.65 g/mol
Exact Mass482.25
IUPAC Name1-tert-butyl-6-cyclopropyl-N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)Nc3nc(CN4CC(C)OC(C)C4)cs3)c12
InChIInChI=1S/C25H34N6O2S/c1-14-10-30(11-15(2)33-14)12-18-13-34-24(26-18)28-23(32)19-9-20(17-7-8-17)27-22-21(19)16(3)29-31(22)25(4,5)6/h9,13-15,17H,7-8,10-12H2,1-6H3,(H,26,28,32)
InChIKeyIWIIAJJDNRCEOP-UHFFFAOYSA-N
XLogP4.69
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.65
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

6-cyclopropyl-N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 55718593
N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-2,5-dimethylfuran-3-carboxamide
CID 134055791
1-tert-butyl-6-cyclopropyl-3-methyl-N-[5-(thiophen-2-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]pyrazolo[5,4-b]pyridine-4-carboxamide
CID 55986146
1-tert-butyl-6-cyclopropyl-3-methyl-N-[2-(pyrrolidin-1-ylmethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide
CID 55762394
1-tert-butyl-N-(5-chloro-2-methylphenyl)-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55756167
N-[4-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide
CID 30216768
N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-2-(2,5-dimethylpyrrol-1-yl)thiophene-3-carboxamide
CID 112807851
1-tert-butyl-6-cyclopropyl-3-methyl-N-[2-(prop-2-enylcarbamoyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide
CID 55759790
4-N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]benzene-1,4-dicarboxamide
CID 55507882
2-[(1-tert-butyl-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]-4-methoxybutanoic acid
CID 120701970
N-(4-aminocyclohexyl)-1-tert-butyl-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 119478999
2-(4-aminophenyl)-N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]acetamide
CID 119840436

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-6-cyclopropyl-N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 1-tert-butyl-6-cyclopropyl-N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 55758611) is 1-tert-butyl-6-cyclopropyl-N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 1-tert-butyl-6-cyclopropyl-N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 1-tert-butyl-6-cyclopropyl-N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide is Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)Nc3nc(CN4CC(C)OC(C)C4)cs3)c12.
What is the InChIKey of 1-tert-butyl-6-cyclopropyl-N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is IWIIAJJDNRCEOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N6O2S/c1-14-10-30(11-15(2)33-14)12-18-13-34-24(26-18)28-23(32)19-9-20(17-7-8-17)27-22-21(19)16(3)29-31(22)25(4,5)6/h9,13-15,17H,7-8,10-12H2,1-6H3,(H,26,28,32).
What are the key properties of 1-tert-butyl-6-cyclopropyl-N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide?
1-tert-butyl-6-cyclopropyl-N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 482.65 g/mol, XLogP of 4.69, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-6-cyclopropyl-N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 55758611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).