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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

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACazetidin-1-yl-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]methanone
SMILESCc1[nH]ncc1-c1nc2ccc3[nH]nc(C(=O)N4CCC4)c3c2c2c1CCCC2
InChIInChI=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)
InChIKeyNRIBUNGCJXTOTI-UHFFFAOYSA-N
MW386.46 g/mol
LogP3.53
Rot. Bonds2

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 NameAzetidin-1-yl-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]methanone
PubChem CID158905146
Molecular FormulaC22H22N6O
Molecular Weight386.46 g/mol
Exact Mass386.19
IUPAC Nameazetidin-1-yl-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]methanone
SMILESCc1[nH]ncc1-c1nc2ccc3[nH]nc(C(=O)N4CCC4)c3c2c2c1CCCC2
InChIInChI=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)
InChIKeyNRIBUNGCJXTOTI-UHFFFAOYSA-N
XLogP3.53
TPSA90.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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).

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