5-[3-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-7-methyl-N-piperidin-4-ylpyrrolo[2,3-d]pyrimidin-2-amine

C23H26N6O — CID 153465827

IUPAC5-[3-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-7-methyl-N-piperidin-4-ylpyrrolo[2,3-d]pyrimidin-2-amine
SMILESCc1noc(C)c1-c1cccc(-c2cn(C)c3nc(NC4CCNCC4)ncc23)c1
InChIInChI=1S/C23H26N6O/c1-14-21(15(2)30-28-14)17-6-4-5-16(11-17)20-13-29(3)22-19(20)12-25-23(27-22)26-18-7-9-24-10-8-18/h4-6,11-13,18,24H,7-10H2,1-3H3,(H,25,26,27)
InChIKeyCMTOYSKMUXMRKB-UHFFFAOYSA-N
MW402.50 g/mol
LogP4.07
Rot. Bonds4

About 5-[3-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-7-methyl-N-piperidin-4-ylpyrrolo[2,3-d]pyrimidin-2-amine

5-[3-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-7-methyl-N-piperidin-4-ylpyrrolo[2,3-d]pyrimidin-2-amine (PubChem CID 153465827) has the molecular formula C23H26N6O and a molecular weight of 402.50 g/mol. Its IUPAC name is 5-[3-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-7-methyl-N-piperidin-4-ylpyrrolo[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound Name5-[3-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-7-methyl-N-piperidin-4-ylpyrrolo[2,3-d]pyrimidin-2-amine
PubChem CID153465827
Molecular FormulaC23H26N6O
Molecular Weight402.50 g/mol
Exact Mass402.22
IUPAC Name5-[3-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-7-methyl-N-piperidin-4-ylpyrrolo[2,3-d]pyrimidin-2-amine
SMILESCc1noc(C)c1-c1cccc(-c2cn(C)c3nc(NC4CCNCC4)ncc23)c1
InChIInChI=1S/C23H26N6O/c1-14-21(15(2)30-28-14)17-6-4-5-16(11-17)20-13-29(3)22-19(20)12-25-23(27-22)26-18-7-9-24-10-8-18/h4-6,11-13,18,24H,7-10H2,1-3H3,(H,25,26,27)
InChIKeyCMTOYSKMUXMRKB-UHFFFAOYSA-N
XLogP4.07
TPSA80.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-7-methyl-N-piperidin-4-ylpyrrolo[2,3-d]pyrimidin-2-amine?
The IUPAC name of 5-[3-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-7-methyl-N-piperidin-4-ylpyrrolo[2,3-d]pyrimidin-2-amine (CID 153465827) is 5-[3-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-7-methyl-N-piperidin-4-ylpyrrolo[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for 5-[3-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-7-methyl-N-piperidin-4-ylpyrrolo[2,3-d]pyrimidin-2-amine?
The canonical SMILES for 5-[3-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-7-methyl-N-piperidin-4-ylpyrrolo[2,3-d]pyrimidin-2-amine is Cc1noc(C)c1-c1cccc(-c2cn(C)c3nc(NC4CCNCC4)ncc23)c1.
What is the InChIKey of 5-[3-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-7-methyl-N-piperidin-4-ylpyrrolo[2,3-d]pyrimidin-2-amine?
The InChIKey is CMTOYSKMUXMRKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6O/c1-14-21(15(2)30-28-14)17-6-4-5-16(11-17)20-13-29(3)22-19(20)12-25-23(27-22)26-18-7-9-24-10-8-18/h4-6,11-13,18,24H,7-10H2,1-3H3,(H,25,26,27).
What are the key properties of 5-[3-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-7-methyl-N-piperidin-4-ylpyrrolo[2,3-d]pyrimidin-2-amine?
5-[3-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-7-methyl-N-piperidin-4-ylpyrrolo[2,3-d]pyrimidin-2-amine has a molecular weight of 402.50 g/mol, XLogP of 4.07, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-7-methyl-N-piperidin-4-ylpyrrolo[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 153465827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).