4-cyclopropyl-2-[[(3S)-3-methylpiperidin-1-yl]methyl]-6-[3-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]phenyl]-1H-pyrrolo[2,3-c]pyridin-7-one

C28H34N6O — CID 174175582

About 4-cyclopropyl-2-[[(3S)-3-methylpiperidin-1-yl]methyl]-6-[3-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]phenyl]-1H-pyrrolo[2,3-c]pyridin-7-one

4-cyclopropyl-2-[[(3S)-3-methylpiperidin-1-yl]methyl]-6-[3-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]phenyl]-1H-pyrrolo[2,3-c]pyridin-7-one (PubChem CID 174175582) has the molecular formula C28H34N6O and a molecular weight of 470.62 g/mol. Its IUPAC name is 4-cyclopropyl-2-[[(3S)-3-methylpiperidin-1-yl]methyl]-6-[3-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]phenyl]-1H-pyrrolo[2,3-c]pyridin-7-one.

Molecular Properties

• Compound Name: 4-cyclopropyl-2-[[(3S)-3-methylpiperidin-1-yl]methyl]-6-[3-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]phenyl]-1H-pyrrolo[2,3-c]pyridin-7-one
• PubChem CID: 174175582
• Molecular Formula: C28H34N6O
• Molecular Weight: 470.62 g/mol
• Exact Mass: 470.28
• IUPAC Name: 4-cyclopropyl-2-[[(3S)-3-methylpiperidin-1-yl]methyl]-6-[3-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]phenyl]-1H-pyrrolo[2,3-c]pyridin-7-one
• SMILES: CC(c1cccc(-n2cc(C3CC3)c3cc(CN4CCC[C@H](C)C4)[nH]c3c2=O)c1)c1nncn1C
• InChI: InChI=1S/C28H34N6O/c1-18-6-5-11-33(14-18)15-22-13-24-25(20-9-10-20)16-34(28(35)26(24)30-22)23-8-4-7-21(12-23)19(2)27-31-29-17-32(27)3/h4,7-8,12-13,16-20,30H,5-6,9-11,14-15H2,1-3H3/t18-,19?/m0/s1
• InChIKey: MACPHEUZERFUQO-OYKVQYDMSA-N
• XLogP: 4.71
• TPSA: 71.74 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	470.62
LogP ≤ 5	4.71
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-2-[[(3S)-3-methylpiperidin-1-yl]methyl]-6-[3-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]phenyl]-1H-pyrrolo[2,3-c]pyridin-7-one?

The IUPAC name of 4-cyclopropyl-2-[[(3S)-3-methylpiperidin-1-yl]methyl]-6-[3-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]phenyl]-1H-pyrrolo[2,3-c]pyridin-7-one (CID 174175582) is 4-cyclopropyl-2-[[(3S)-3-methylpiperidin-1-yl]methyl]-6-[3-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]phenyl]-1H-pyrrolo[2,3-c]pyridin-7-one.

What is the SMILES notation for 4-cyclopropyl-2-[[(3S)-3-methylpiperidin-1-yl]methyl]-6-[3-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]phenyl]-1H-pyrrolo[2,3-c]pyridin-7-one?

The canonical SMILES for 4-cyclopropyl-2-[[(3S)-3-methylpiperidin-1-yl]methyl]-6-[3-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]phenyl]-1H-pyrrolo[2,3-c]pyridin-7-one is CC(c1cccc(-n2cc(C3CC3)c3cc(CN4CCC[C@H](C)C4)[nH]c3c2=O)c1)c1nncn1C.

What is the InChIKey of 4-cyclopropyl-2-[[(3S)-3-methylpiperidin-1-yl]methyl]-6-[3-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]phenyl]-1H-pyrrolo[2,3-c]pyridin-7-one?

The InChIKey is MACPHEUZERFUQO-OYKVQYDMSA-N. The full InChI is InChI=1S/C28H34N6O/c1-18-6-5-11-33(14-18)15-22-13-24-25(20-9-10-20)16-34(28(35)26(24)30-22)23-8-4-7-21(12-23)19(2)27-31-29-17-32(27)3/h4,7-8,12-13,16-20,30H,5-6,9-11,14-15H2,1-3H3/t18-,19?/m0/s1.

What are the key properties of 4-cyclopropyl-2-[[(3S)-3-methylpiperidin-1-yl]methyl]-6-[3-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]phenyl]-1H-pyrrolo[2,3-c]pyridin-7-one?

4-cyclopropyl-2-[[(3S)-3-methylpiperidin-1-yl]methyl]-6-[3-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]phenyl]-1H-pyrrolo[2,3-c]pyridin-7-one has a molecular weight of 470.62 g/mol, XLogP of 4.71, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-cyclopropyl-2-[[(3S)-3-methylpiperidin-1-yl]methyl]-6-[3-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]phenyl]-1H-pyrrolo[2,3-c]pyridin-7-one is sourced from PubChem (CID 174175582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).