6-cyclopropyl-3-methyl-N-[5-methyl-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

C22H18N6O2S — CID 166192828

IUPAC6-cyclopropyl-3-methyl-N-[5-methyl-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1sc(NC(=O)c2cc(C3CC3)nc3onc(C)c23)nc1-c1c[nH]c2ncccc12
InChIInChI=1S/C22H18N6O2S/c1-10-17-14(8-16(12-5-6-12)25-21(17)30-28-10)20(29)27-22-26-18(11(2)31-22)15-9-24-19-13(15)4-3-7-23-19/h3-4,7-9,12H,5-6H2,1-2H3,(H,23,24)(H,26,27,29)
InChIKeyJYRUVKXMKJDFSF-UHFFFAOYSA-N
MW430.49 g/mol
LogP4.97
Rot. Bonds4

About 6-cyclopropyl-3-methyl-N-[5-methyl-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

6-cyclopropyl-3-methyl-N-[5-methyl-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 166192828) has the molecular formula C22H18N6O2S and a molecular weight of 430.49 g/mol. Its IUPAC name is 6-cyclopropyl-3-methyl-N-[5-methyl-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name6-cyclopropyl-3-methyl-N-[5-methyl-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
PubChem CID166192828
Molecular FormulaC22H18N6O2S
Molecular Weight430.49 g/mol
Exact Mass430.12
IUPAC Name6-cyclopropyl-3-methyl-N-[5-methyl-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1sc(NC(=O)c2cc(C3CC3)nc3onc(C)c23)nc1-c1c[nH]c2ncccc12
InChIInChI=1S/C22H18N6O2S/c1-10-17-14(8-16(12-5-6-12)25-21(17)30-28-10)20(29)27-22-26-18(11(2)31-22)15-9-24-19-13(15)4-3-7-23-19/h3-4,7-9,12H,5-6H2,1-2H3,(H,23,24)(H,26,27,29)
InChIKeyJYRUVKXMKJDFSF-UHFFFAOYSA-N
XLogP4.97
TPSA109.59 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.49
LogP ≤ 54.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6-cyclopropyl-3-methyl-N-[5-methyl-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide with MolForge

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Related Compounds

6-cyclopropyl-3-methyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 26038847
6-cyclopropyl-3-methyl-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 86843401
6-cyclopropyl-3-methyl-N-(3-phenyl-1,2-oxazol-5-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 171314992
3-ethyl-5-methyl-2-N-[5-methyl-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]-1H-pyrrole-2,4-dicarboxamide
CID 154807543
6-cyclopropyl-3-methyl-N-(3-methylsulfanylphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 45494973
N-(3-acetamido-2,4-dimethylphenyl)-6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 56797790
6-cyclopropyl-3-methyl-N-(2,4,6-trimethyl-3-pyridinyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 78859802
6-cyclopropyl-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 17492725
6-cyclopropyl-3-methyl-N-(5-piperidin-1-ylisoquinolin-8-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 37314122
6-cyclopropyl-3-methyl-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 26048585
6-cyclopropyl-N-[2-(ethylaminomethyl)phenyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide;hydrochloride
CID 119440730
6-cyclopropyl-N-[[4-(ethylcarbamoyl)phenyl]methyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 86990003

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-3-methyl-N-[5-methyl-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 6-cyclopropyl-3-methyl-N-[5-methyl-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (CID 166192828) is 6-cyclopropyl-3-methyl-N-[5-methyl-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 6-cyclopropyl-3-methyl-N-[5-methyl-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 6-cyclopropyl-3-methyl-N-[5-methyl-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is Cc1sc(NC(=O)c2cc(C3CC3)nc3onc(C)c23)nc1-c1c[nH]c2ncccc12.
What is the InChIKey of 6-cyclopropyl-3-methyl-N-[5-methyl-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is JYRUVKXMKJDFSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N6O2S/c1-10-17-14(8-16(12-5-6-12)25-21(17)30-28-10)20(29)27-22-26-18(11(2)31-22)15-9-24-19-13(15)4-3-7-23-19/h3-4,7-9,12H,5-6H2,1-2H3,(H,23,24)(H,26,27,29).
What are the key properties of 6-cyclopropyl-3-methyl-N-[5-methyl-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
6-cyclopropyl-3-methyl-N-[5-methyl-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 430.49 g/mol, XLogP of 4.97, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-3-methyl-N-[5-methyl-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 166192828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).