azetidin-1-yl-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]methanone

C22H22N6O — CID 158905146

About azetidin-1-yl-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]methanone

azetidin-1-yl-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]methanone (PubChem CID 158905146) has the molecular formula C22H22N6O and a molecular weight of 386.46 g/mol. Its IUPAC name is azetidin-1-yl-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]methanone.

Molecular Properties

• Compound Name: azetidin-1-yl-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]methanone
• PubChem CID: 158905146
• Molecular Formula: C22H22N6O
• Molecular Weight: 386.46 g/mol
• Exact Mass: 386.19
• IUPAC Name: azetidin-1-yl-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]methanone
• SMILES: Cc1[nH]ncc1-c1nc2ccc3[nH]nc(C(=O)N4CCC4)c3c2c2c1CCCC2
• InChI: InChI=1S/C22H22N6O/c1-12-15(11-23-25-12)20-14-6-3-2-5-13(14)18-16(24-20)7-8-17-19(18)21(27-26-17)22(29)28-9-4-10-28/h7-8,11H,2-6,9-10H2,1H3,(H,23,25)(H,26,27)
• InChIKey: NRIBUNGCJXTOTI-UHFFFAOYSA-N
• XLogP: 3.53
• TPSA: 90.56 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 2
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	386.46
LogP ≤ 5	3.53
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of azetidin-1-yl-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]methanone?

The IUPAC name of azetidin-1-yl-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]methanone (CID 158905146) is azetidin-1-yl-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]methanone.

What is the SMILES notation for azetidin-1-yl-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]methanone?

The canonical SMILES for azetidin-1-yl-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]methanone is Cc1[nH]ncc1-c1nc2ccc3[nH]nc(C(=O)N4CCC4)c3c2c2c1CCCC2.

What is the InChIKey of azetidin-1-yl-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]methanone?

The InChIKey is NRIBUNGCJXTOTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6O/c1-12-15(11-23-25-12)20-14-6-3-2-5-13(14)18-16(24-20)7-8-17-19(18)21(27-26-17)22(29)28-9-4-10-28/h7-8,11H,2-6,9-10H2,1H3,(H,23,25)(H,26,27).

What are the key properties of azetidin-1-yl-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]methanone?

azetidin-1-yl-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]methanone has a molecular weight of 386.46 g/mol, XLogP of 3.53, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for azetidin-1-yl-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]methanone is sourced from PubChem (CID 158905146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).