5-butyl-4-[6-(3-methyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine;2-methylpiperidine

C25H33N7O — CID 142624134

IUPAC5-butyl-4-[6-(3-methyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine;2-methylpiperidine
SMILESCC1CCCCN1.CCCCc1cnc(N)nc1-c1c[nH]c2nc(-c3conc3C)ccc12
InChIInChI=1S/C19H20N6O.C6H13N/c1-3-4-5-12-8-22-19(20)24-17(12)14-9-21-18-13(14)6-7-16(23-18)15-10-26-25-11(15)2;1-6-4-2-3-5-7-6/h6-10H,3-5H2,1-2H3,(H,21,23)(H2,20,22,24);6-7H,2-5H2,1H3
InChIKeyAUMLGGGYSVRPRZ-UHFFFAOYSA-N
MW447.59 g/mol
LogP5.06
Rot. Bonds5

About 5-butyl-4-[6-(3-methyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine;2-methylpiperidine

5-butyl-4-[6-(3-methyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine;2-methylpiperidine (PubChem CID 142624134) has the molecular formula C25H33N7O and a molecular weight of 447.59 g/mol. Its IUPAC name is 5-butyl-4-[6-(3-methyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine;2-methylpiperidine.

Molecular Properties

Compound Name5-butyl-4-[6-(3-methyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine;2-methylpiperidine
PubChem CID142624134
Molecular FormulaC25H33N7O
Molecular Weight447.59 g/mol
Exact Mass447.27
IUPAC Name5-butyl-4-[6-(3-methyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine;2-methylpiperidine
SMILESCC1CCCCN1.CCCCc1cnc(N)nc1-c1c[nH]c2nc(-c3conc3C)ccc12
InChIInChI=1S/C19H20N6O.C6H13N/c1-3-4-5-12-8-22-19(20)24-17(12)14-9-21-18-13(14)6-7-16(23-18)15-10-26-25-11(15)2;1-6-4-2-3-5-7-6/h6-10H,3-5H2,1-2H3,(H,21,23)(H2,20,22,24);6-7H,2-5H2,1H3
InChIKeyAUMLGGGYSVRPRZ-UHFFFAOYSA-N
XLogP5.06
TPSA118.54 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.59
LogP ≤ 55.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 5-butyl-4-[6-(3-methyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine;2-methylpiperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-butyl-4-[6-(3-methyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine;2-methylpiperidine?
The IUPAC name of 5-butyl-4-[6-(3-methyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine;2-methylpiperidine (CID 142624134) is 5-butyl-4-[6-(3-methyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine;2-methylpiperidine.
What is the SMILES notation for 5-butyl-4-[6-(3-methyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine;2-methylpiperidine?
The canonical SMILES for 5-butyl-4-[6-(3-methyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine;2-methylpiperidine is CC1CCCCN1.CCCCc1cnc(N)nc1-c1c[nH]c2nc(-c3conc3C)ccc12.
What is the InChIKey of 5-butyl-4-[6-(3-methyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine;2-methylpiperidine?
The InChIKey is AUMLGGGYSVRPRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O.C6H13N/c1-3-4-5-12-8-22-19(20)24-17(12)14-9-21-18-13(14)6-7-16(23-18)15-10-26-25-11(15)2;1-6-4-2-3-5-7-6/h6-10H,3-5H2,1-2H3,(H,21,23)(H2,20,22,24);6-7H,2-5H2,1H3.
What are the key properties of 5-butyl-4-[6-(3-methyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine;2-methylpiperidine?
5-butyl-4-[6-(3-methyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine;2-methylpiperidine has a molecular weight of 447.59 g/mol, XLogP of 5.06, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-4-[6-(3-methyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine;2-methylpiperidine is sourced from PubChem (CID 142624134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).