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

C23H20N6 — CID 158744167

IUPAC7-(5-methyl-1H-pyrazol-4-yl)-1-pyridin-4-yl-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine
SMILESCc1[nH]ncc1-c1nc2ccc3[nH]nc(-c4ccncc4)c3c2c2c1CCCC2
InChIInChI=1S/C23H20N6/c1-13-17(12-25-27-13)23-16-5-3-2-4-15(16)20-18(26-23)6-7-19-21(20)22(29-28-19)14-8-10-24-11-9-14/h6-12H,2-5H2,1H3,(H,25,27)(H,28,29)
InChIKeyLIEBXARKBJYPOL-UHFFFAOYSA-N
MW380.46 g/mol
LogP4.75
Rot. Bonds2

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

7-(5-methyl-1H-pyrazol-4-yl)-1-pyridin-4-yl-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine (PubChem CID 158744167) has the molecular formula C23H20N6 and a molecular weight of 380.46 g/mol. Its IUPAC name is 7-(5-methyl-1H-pyrazol-4-yl)-1-pyridin-4-yl-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine.

Molecular Properties

Compound Name7-(5-methyl-1H-pyrazol-4-yl)-1-pyridin-4-yl-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine
PubChem CID158744167
Molecular FormulaC23H20N6
Molecular Weight380.46 g/mol
Exact Mass380.17
IUPAC Name7-(5-methyl-1H-pyrazol-4-yl)-1-pyridin-4-yl-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine
SMILESCc1[nH]ncc1-c1nc2ccc3[nH]nc(-c4ccncc4)c3c2c2c1CCCC2
InChIInChI=1S/C23H20N6/c1-13-17(12-25-27-13)23-16-5-3-2-4-15(16)20-18(26-23)6-7-19-21(20)22(29-28-19)14-8-10-24-11-9-14/h6-12H,2-5H2,1H3,(H,25,27)(H,28,29)
InChIKeyLIEBXARKBJYPOL-UHFFFAOYSA-N
XLogP4.75
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.46
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Ly-364947
CID 447966
Camizestrant
CID 134453496
3-pyridin-4-yl-1H-indazole
CID 12412578
3-N-[(2S)-2-amino-3-(1H-indol-3-yl)propyl]-5-N-(isoquinolin-5-yl)pyridine-3,5-diamine
CID 10173098
2-Phenyl-2H-pyrazolo[4,3-c]quinoline
CID 11470612
4-(3-methylpyridin-4-yl)-6-(trifluoromethyl)-1H-indazole
CID 71735206
(R)-6-(2-(2-methylpyrrolidin-1-yl)ethyl)-2-(1H-pyrazol-4-yl)quinoline
CID 25156751
1-(1-acetylpiperidin-4-yl)-8-(1H-indazol-4-yl)-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one
CID 58379595
5-(1-methylpyrazol-4-yl)-3-(6-piperidin-4-yl-2-pyridinyl)-1H-pyrazolo[3,4-c]pyridine
CID 71253727
(3R)-1-[3-[5-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]phenyl]piperidin-3-amine
CID 71254066
N-[1-(3-fluoropropyl)azetidin-3-yl]-N-methyl-6-[(6S,8R)-8-methyl-7-(2,2,2-trifluoroethyl)-3,6,8,9-tetrahydropyrazolo[4,3-f]isoquinolin-6-yl]pyridin-3-amine
CID 134453535
6-[(6S,8R)-7-(2,2-difluoroethyl)-6,8-dimethyl-8,9-dihydro-3H-pyrazolo[4,3-f]isoquinolin-6-yl]-N-[1-(3-fluoropropyl)azetidin-3-yl]pyridin-3-amine
CID 134453542

Frequently Asked Questions

What is the IUPAC name of 7-(5-methyl-1H-pyrazol-4-yl)-1-pyridin-4-yl-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine?
The IUPAC name of 7-(5-methyl-1H-pyrazol-4-yl)-1-pyridin-4-yl-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine (CID 158744167) is 7-(5-methyl-1H-pyrazol-4-yl)-1-pyridin-4-yl-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine.
What is the SMILES notation for 7-(5-methyl-1H-pyrazol-4-yl)-1-pyridin-4-yl-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine?
The canonical SMILES for 7-(5-methyl-1H-pyrazol-4-yl)-1-pyridin-4-yl-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine is Cc1[nH]ncc1-c1nc2ccc3[nH]nc(-c4ccncc4)c3c2c2c1CCCC2.
What is the InChIKey of 7-(5-methyl-1H-pyrazol-4-yl)-1-pyridin-4-yl-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine?
The InChIKey is LIEBXARKBJYPOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N6/c1-13-17(12-25-27-13)23-16-5-3-2-4-15(16)20-18(26-23)6-7-19-21(20)22(29-28-19)14-8-10-24-11-9-14/h6-12H,2-5H2,1H3,(H,25,27)(H,28,29).
What are the key properties of 7-(5-methyl-1H-pyrazol-4-yl)-1-pyridin-4-yl-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine?
7-(5-methyl-1H-pyrazol-4-yl)-1-pyridin-4-yl-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine has a molecular weight of 380.46 g/mol, XLogP of 4.75, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(5-methyl-1H-pyrazol-4-yl)-1-pyridin-4-yl-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine is sourced from PubChem (CID 158744167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).