3-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-2H-1,3-oxazole-4-carboxamide

C27H33N7O3S — CID 135334323

IUPAC3-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-2H-1,3-oxazole-4-carboxamide
SMILESCc1cc(C2OC=C(C(N)=O)N2c2cc3sc(N4C[C@@H](C)O[C@@H](C)C4)nc3nc2N2CCCCC2)ccn1
InChIInChI=1S/C27H33N7O3S/c1-16-11-19(7-8-29-16)26-34(21(15-36-26)23(28)35)20-12-22-24(30-25(20)32-9-5-4-6-10-32)31-27(38-22)33-13-17(2)37-18(3)14-33/h7-8,11-12,15,17-18,26H,4-6,9-10,13-14H2,1-3H3,(H2,28,35)/t17-,18+,26?
InChIKeyUMVNJNRDNLELND-PQJFKPCWSA-N
MW535.67 g/mol
LogP3.86
Rot. Bonds5

About 3-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-2H-1,3-oxazole-4-carboxamide

3-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-2H-1,3-oxazole-4-carboxamide (PubChem CID 135334323) has the molecular formula C27H33N7O3S and a molecular weight of 535.67 g/mol. Its IUPAC name is 3-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-2H-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-2H-1,3-oxazole-4-carboxamide
PubChem CID135334323
Molecular FormulaC27H33N7O3S
Molecular Weight535.67 g/mol
Exact Mass535.24
IUPAC Name3-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-2H-1,3-oxazole-4-carboxamide
SMILESCc1cc(C2OC=C(C(N)=O)N2c2cc3sc(N4C[C@@H](C)O[C@@H](C)C4)nc3nc2N2CCCCC2)ccn1
InChIInChI=1S/C27H33N7O3S/c1-16-11-19(7-8-29-16)26-34(21(15-36-26)23(28)35)20-12-22-24(30-25(20)32-9-5-4-6-10-32)31-27(38-22)33-13-17(2)37-18(3)14-33/h7-8,11-12,15,17-18,26H,4-6,9-10,13-14H2,1-3H3,(H2,28,35)/t17-,18+,26?
InChIKeyUMVNJNRDNLELND-PQJFKPCWSA-N
XLogP3.86
TPSA109.94 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500535.67
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 3-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-2H-1,3-oxazole-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-2H-1,3-oxazole-4-carboxamide?
The IUPAC name of 3-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-2H-1,3-oxazole-4-carboxamide (CID 135334323) is 3-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-2H-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 3-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-2H-1,3-oxazole-4-carboxamide?
The canonical SMILES for 3-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-2H-1,3-oxazole-4-carboxamide is Cc1cc(C2OC=C(C(N)=O)N2c2cc3sc(N4C[C@@H](C)O[C@@H](C)C4)nc3nc2N2CCCCC2)ccn1.
What is the InChIKey of 3-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-2H-1,3-oxazole-4-carboxamide?
The InChIKey is UMVNJNRDNLELND-PQJFKPCWSA-N. The full InChI is InChI=1S/C27H33N7O3S/c1-16-11-19(7-8-29-16)26-34(21(15-36-26)23(28)35)20-12-22-24(30-25(20)32-9-5-4-6-10-32)31-27(38-22)33-13-17(2)37-18(3)14-33/h7-8,11-12,15,17-18,26H,4-6,9-10,13-14H2,1-3H3,(H2,28,35)/t17-,18+,26?.
What are the key properties of 3-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-2H-1,3-oxazole-4-carboxamide?
3-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-2H-1,3-oxazole-4-carboxamide has a molecular weight of 535.67 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-2H-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 135334323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).