5-[4-[1-[[di(propan-2-yl)amino]methyl]cyclopropyl]phenyl]-3-(4-methoxyphenyl)-6,7-dihydrotriazolo[4,5-c]pyridin-4-one

C28H35N5O2 — CID 10457577

About 5-[4-[1-[[di(propan-2-yl)amino]methyl]cyclopropyl]phenyl]-3-(4-methoxyphenyl)-6,7-dihydrotriazolo[4,5-c]pyridin-4-one

5-[4-[1-[[di(propan-2-yl)amino]methyl]cyclopropyl]phenyl]-3-(4-methoxyphenyl)-6,7-dihydrotriazolo[4,5-c]pyridin-4-one (PubChem CID 10457577) has the molecular formula C28H35N5O2 and a molecular weight of 473.62 g/mol. Its IUPAC name is 5-[4-[1-[[di(propan-2-yl)amino]methyl]cyclopropyl]phenyl]-3-(4-methoxyphenyl)-6,7-dihydrotriazolo[4,5-c]pyridin-4-one.

Molecular Properties

• Compound Name: 5-[4-[1-[[di(propan-2-yl)amino]methyl]cyclopropyl]phenyl]-3-(4-methoxyphenyl)-6,7-dihydrotriazolo[4,5-c]pyridin-4-one
• PubChem CID: 10457577
• Molecular Formula: C28H35N5O2
• Molecular Weight: 473.62 g/mol
• Exact Mass: 473.28
• IUPAC Name: 5-[4-[1-[[di(propan-2-yl)amino]methyl]cyclopropyl]phenyl]-3-(4-methoxyphenyl)-6,7-dihydrotriazolo[4,5-c]pyridin-4-one
• SMILES: COc1ccc(-n2nnc3c2C(=O)N(c2ccc(C4(CN(C(C)C)C(C)C)CC4)cc2)CC3)cc1
• InChI: InChI=1S/C28H35N5O2/c1-19(2)32(20(3)4)18-28(15-16-28)21-6-8-22(9-7-21)31-17-14-25-26(27(31)34)33(30-29-25)23-10-12-24(35-5)13-11-23/h6-13,19-20H,14-18H2,1-5H3
• InChIKey: RSLSLPPHTRMJKL-UHFFFAOYSA-N
• XLogP: 4.63
• TPSA: 63.49 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	473.62
LogP ≤ 5	4.63
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-[4-[1-[[di(propan-2-yl)amino]methyl]cyclopropyl]phenyl]-3-(4-methoxyphenyl)-6,7-dihydrotriazolo[4,5-c]pyridin-4-one?

The IUPAC name of 5-[4-[1-[[di(propan-2-yl)amino]methyl]cyclopropyl]phenyl]-3-(4-methoxyphenyl)-6,7-dihydrotriazolo[4,5-c]pyridin-4-one (CID 10457577) is 5-[4-[1-[[di(propan-2-yl)amino]methyl]cyclopropyl]phenyl]-3-(4-methoxyphenyl)-6,7-dihydrotriazolo[4,5-c]pyridin-4-one.

What is the SMILES notation for 5-[4-[1-[[di(propan-2-yl)amino]methyl]cyclopropyl]phenyl]-3-(4-methoxyphenyl)-6,7-dihydrotriazolo[4,5-c]pyridin-4-one?

The canonical SMILES for 5-[4-[1-[[di(propan-2-yl)amino]methyl]cyclopropyl]phenyl]-3-(4-methoxyphenyl)-6,7-dihydrotriazolo[4,5-c]pyridin-4-one is COc1ccc(-n2nnc3c2C(=O)N(c2ccc(C4(CN(C(C)C)C(C)C)CC4)cc2)CC3)cc1.

What is the InChIKey of 5-[4-[1-[[di(propan-2-yl)amino]methyl]cyclopropyl]phenyl]-3-(4-methoxyphenyl)-6,7-dihydrotriazolo[4,5-c]pyridin-4-one?

The InChIKey is RSLSLPPHTRMJKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35N5O2/c1-19(2)32(20(3)4)18-28(15-16-28)21-6-8-22(9-7-21)31-17-14-25-26(27(31)34)33(30-29-25)23-10-12-24(35-5)13-11-23/h6-13,19-20H,14-18H2,1-5H3.

What are the key properties of 5-[4-[1-[[di(propan-2-yl)amino]methyl]cyclopropyl]phenyl]-3-(4-methoxyphenyl)-6,7-dihydrotriazolo[4,5-c]pyridin-4-one?

5-[4-[1-[[di(propan-2-yl)amino]methyl]cyclopropyl]phenyl]-3-(4-methoxyphenyl)-6,7-dihydrotriazolo[4,5-c]pyridin-4-one has a molecular weight of 473.62 g/mol, XLogP of 4.63, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-[1-[[di(propan-2-yl)amino]methyl]cyclopropyl]phenyl]-3-(4-methoxyphenyl)-6,7-dihydrotriazolo[4,5-c]pyridin-4-one is sourced from PubChem (CID 10457577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).