(4-aminopiperidin-1-yl)-[3-[5-[4-[(2-methyl-3H-pyridin-2-yl)methylamino]-5-phenylquinazolin-2-yl]-3-pyridinyl]-1,2,4-oxadiazol-5-yl]methanone

C34H33N9O2 — CID 122643333

IUPAC(4-aminopiperidin-1-yl)-[3-[5-[4-[(2-methyl-3H-pyridin-2-yl)methylamino]-5-phenylquinazolin-2-yl]-3-pyridinyl]-1,2,4-oxadiazol-5-yl]methanone
SMILESCC1(CNc2nc(-c3cncc(-c4noc(C(=O)N5CCC(N)CC5)n4)c3)nc3cccc(-c4ccccc4)c23)CC=CC=N1
InChIInChI=1S/C34H33N9O2/c1-34(14-5-6-15-38-34)21-37-31-28-26(22-8-3-2-4-9-22)10-7-11-27(28)39-29(40-31)23-18-24(20-36-19-23)30-41-32(45-42-30)33(44)43-16-12-25(35)13-17-43/h2-11,15,18-20,25H,12-14,16-17,21,35H2,1H3,(H,37,39,40)
InChIKeyRJVHMAOFYGUNJN-UHFFFAOYSA-N
MW599.70 g/mol
LogP5.17
Rot. Bonds7

About (4-aminopiperidin-1-yl)-[3-[5-[4-[(2-methyl-3H-pyridin-2-yl)methylamino]-5-phenylquinazolin-2-yl]-3-pyridinyl]-1,2,4-oxadiazol-5-yl]methanone

(4-aminopiperidin-1-yl)-[3-[5-[4-[(2-methyl-3H-pyridin-2-yl)methylamino]-5-phenylquinazolin-2-yl]-3-pyridinyl]-1,2,4-oxadiazol-5-yl]methanone (PubChem CID 122643333) has the molecular formula C34H33N9O2 and a molecular weight of 599.70 g/mol. Its IUPAC name is (4-aminopiperidin-1-yl)-[3-[5-[4-[(2-methyl-3H-pyridin-2-yl)methylamino]-5-phenylquinazolin-2-yl]-3-pyridinyl]-1,2,4-oxadiazol-5-yl]methanone.

Molecular Properties

Compound Name(4-aminopiperidin-1-yl)-[3-[5-[4-[(2-methyl-3H-pyridin-2-yl)methylamino]-5-phenylquinazolin-2-yl]-3-pyridinyl]-1,2,4-oxadiazol-5-yl]methanone
PubChem CID122643333
Molecular FormulaC34H33N9O2
Molecular Weight599.70 g/mol
Exact Mass599.28
IUPAC Name(4-aminopiperidin-1-yl)-[3-[5-[4-[(2-methyl-3H-pyridin-2-yl)methylamino]-5-phenylquinazolin-2-yl]-3-pyridinyl]-1,2,4-oxadiazol-5-yl]methanone
SMILESCC1(CNc2nc(-c3cncc(-c4noc(C(=O)N5CCC(N)CC5)n4)c3)nc3cccc(-c4ccccc4)c23)CC=CC=N1
InChIInChI=1S/C34H33N9O2/c1-34(14-5-6-15-38-34)21-37-31-28-26(22-8-3-2-4-9-22)10-7-11-27(28)39-29(40-31)23-18-24(20-36-19-23)30-41-32(45-42-30)33(44)43-16-12-25(35)13-17-43/h2-11,15,18-20,25H,12-14,16-17,21,35H2,1H3,(H,37,39,40)
InChIKeyRJVHMAOFYGUNJN-UHFFFAOYSA-N
XLogP5.17
TPSA148.31 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500599.70
LogP ≤ 55.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze (4-aminopiperidin-1-yl)-[3-[5-[4-[(2-methyl-3H-pyridin-2-yl)methylamino]-5-phenylquinazolin-2-yl]-3-pyridinyl]-1,2,4-oxadiazol-5-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4-aminopiperidin-1-yl)-[3-[5-[4-[(2-methyl-3H-pyridin-2-yl)methylamino]-5-phenylquinazolin-2-yl]-3-pyridinyl]-1,2,4-oxadiazol-5-yl]methanone?
The IUPAC name of (4-aminopiperidin-1-yl)-[3-[5-[4-[(2-methyl-3H-pyridin-2-yl)methylamino]-5-phenylquinazolin-2-yl]-3-pyridinyl]-1,2,4-oxadiazol-5-yl]methanone (CID 122643333) is (4-aminopiperidin-1-yl)-[3-[5-[4-[(2-methyl-3H-pyridin-2-yl)methylamino]-5-phenylquinazolin-2-yl]-3-pyridinyl]-1,2,4-oxadiazol-5-yl]methanone.
What is the SMILES notation for (4-aminopiperidin-1-yl)-[3-[5-[4-[(2-methyl-3H-pyridin-2-yl)methylamino]-5-phenylquinazolin-2-yl]-3-pyridinyl]-1,2,4-oxadiazol-5-yl]methanone?
The canonical SMILES for (4-aminopiperidin-1-yl)-[3-[5-[4-[(2-methyl-3H-pyridin-2-yl)methylamino]-5-phenylquinazolin-2-yl]-3-pyridinyl]-1,2,4-oxadiazol-5-yl]methanone is CC1(CNc2nc(-c3cncc(-c4noc(C(=O)N5CCC(N)CC5)n4)c3)nc3cccc(-c4ccccc4)c23)CC=CC=N1.
What is the InChIKey of (4-aminopiperidin-1-yl)-[3-[5-[4-[(2-methyl-3H-pyridin-2-yl)methylamino]-5-phenylquinazolin-2-yl]-3-pyridinyl]-1,2,4-oxadiazol-5-yl]methanone?
The InChIKey is RJVHMAOFYGUNJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H33N9O2/c1-34(14-5-6-15-38-34)21-37-31-28-26(22-8-3-2-4-9-22)10-7-11-27(28)39-29(40-31)23-18-24(20-36-19-23)30-41-32(45-42-30)33(44)43-16-12-25(35)13-17-43/h2-11,15,18-20,25H,12-14,16-17,21,35H2,1H3,(H,37,39,40).
What are the key properties of (4-aminopiperidin-1-yl)-[3-[5-[4-[(2-methyl-3H-pyridin-2-yl)methylamino]-5-phenylquinazolin-2-yl]-3-pyridinyl]-1,2,4-oxadiazol-5-yl]methanone?
(4-aminopiperidin-1-yl)-[3-[5-[4-[(2-methyl-3H-pyridin-2-yl)methylamino]-5-phenylquinazolin-2-yl]-3-pyridinyl]-1,2,4-oxadiazol-5-yl]methanone has a molecular weight of 599.70 g/mol, XLogP of 5.17, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminopiperidin-1-yl)-[3-[5-[4-[(2-methyl-3H-pyridin-2-yl)methylamino]-5-phenylquinazolin-2-yl]-3-pyridinyl]-1,2,4-oxadiazol-5-yl]methanone is sourced from PubChem (CID 122643333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).