2-acetamido-N-[1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]-3-(4-propan-2-ylphenyl)propanamide

C25H33N7O2 — CID 6490090

IUPAC2-acetamido-N-[1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]-3-(4-propan-2-ylphenyl)propanamide
SMILESCC(=O)NC(Cc1ccc(C(C)C)cc1)C(=O)NC1CCN(c2cc(C)nc3ncnn23)CC1
InChIInChI=1S/C25H33N7O2/c1-16(2)20-7-5-19(6-8-20)14-22(29-18(4)33)24(34)30-21-9-11-31(12-10-21)23-13-17(3)28-25-26-15-27-32(23)25/h5-8,13,15-16,21-22H,9-12,14H2,1-4H3,(H,29,33)(H,30,34)
InChIKeyKJKHWHPPRTVISX-UHFFFAOYSA-N
MW463.59 g/mol
LogP2.39
Rot. Bonds7

About 2-acetamido-N-[1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]-3-(4-propan-2-ylphenyl)propanamide

2-acetamido-N-[1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]-3-(4-propan-2-ylphenyl)propanamide (PubChem CID 6490090) has the molecular formula C25H33N7O2 and a molecular weight of 463.59 g/mol. Its IUPAC name is 2-acetamido-N-[1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]-3-(4-propan-2-ylphenyl)propanamide.

Molecular Properties

Compound Name2-acetamido-N-[1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]-3-(4-propan-2-ylphenyl)propanamide
PubChem CID6490090
Molecular FormulaC25H33N7O2
Molecular Weight463.59 g/mol
Exact Mass463.27
IUPAC Name2-acetamido-N-[1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]-3-(4-propan-2-ylphenyl)propanamide
SMILESCC(=O)NC(Cc1ccc(C(C)C)cc1)C(=O)NC1CCN(c2cc(C)nc3ncnn23)CC1
InChIInChI=1S/C25H33N7O2/c1-16(2)20-7-5-19(6-8-20)14-22(29-18(4)33)24(34)30-21-9-11-31(12-10-21)23-13-17(3)28-25-26-15-27-32(23)25/h5-8,13,15-16,21-22H,9-12,14H2,1-4H3,(H,29,33)(H,30,34)
InChIKeyKJKHWHPPRTVISX-UHFFFAOYSA-N
XLogP2.39
TPSA104.52 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.59
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-[1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]-3-(4-propan-2-ylphenyl)propanamide?
The IUPAC name of 2-acetamido-N-[1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]-3-(4-propan-2-ylphenyl)propanamide (CID 6490090) is 2-acetamido-N-[1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]-3-(4-propan-2-ylphenyl)propanamide.
What is the SMILES notation for 2-acetamido-N-[1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]-3-(4-propan-2-ylphenyl)propanamide?
The canonical SMILES for 2-acetamido-N-[1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]-3-(4-propan-2-ylphenyl)propanamide is CC(=O)NC(Cc1ccc(C(C)C)cc1)C(=O)NC1CCN(c2cc(C)nc3ncnn23)CC1.
What is the InChIKey of 2-acetamido-N-[1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]-3-(4-propan-2-ylphenyl)propanamide?
The InChIKey is KJKHWHPPRTVISX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N7O2/c1-16(2)20-7-5-19(6-8-20)14-22(29-18(4)33)24(34)30-21-9-11-31(12-10-21)23-13-17(3)28-25-26-15-27-32(23)25/h5-8,13,15-16,21-22H,9-12,14H2,1-4H3,(H,29,33)(H,30,34).
What are the key properties of 2-acetamido-N-[1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]-3-(4-propan-2-ylphenyl)propanamide?
2-acetamido-N-[1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]-3-(4-propan-2-ylphenyl)propanamide has a molecular weight of 463.59 g/mol, XLogP of 2.39, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-[1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]-3-(4-propan-2-ylphenyl)propanamide is sourced from PubChem (CID 6490090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).