4-[1-[(1-methylpyrazol-3-yl)amino]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-7-yl]phenol

C24H22N6O — CID 155151834

IUPAC4-[1-[(1-methylpyrazol-3-yl)amino]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-7-yl]phenol
SMILESCn1ccc(Nc2n[nH]c3ccc4nc(-c5ccc(O)cc5)c5c(c4c23)CCCC5)n1
InChIInChI=1S/C24H22N6O/c1-30-13-12-20(29-30)26-24-22-19(27-28-24)11-10-18-21(22)16-4-2-3-5-17(16)23(25-18)14-6-8-15(31)9-7-14/h6-13,31H,2-5H2,1H3,(H2,26,27,28,29)
InChIKeyORCMQVNZOFVGME-UHFFFAOYSA-N
MW410.48 g/mol
LogP4.84
Rot. Bonds3

About 4-[1-[(1-methylpyrazol-3-yl)amino]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-7-yl]phenol

4-[1-[(1-methylpyrazol-3-yl)amino]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-7-yl]phenol (PubChem CID 155151834) has the molecular formula C24H22N6O and a molecular weight of 410.48 g/mol. Its IUPAC name is 4-[1-[(1-methylpyrazol-3-yl)amino]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-7-yl]phenol.

Molecular Properties

Compound Name4-[1-[(1-methylpyrazol-3-yl)amino]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-7-yl]phenol
PubChem CID155151834
Molecular FormulaC24H22N6O
Molecular Weight410.48 g/mol
Exact Mass410.19
IUPAC Name4-[1-[(1-methylpyrazol-3-yl)amino]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-7-yl]phenol
SMILESCn1ccc(Nc2n[nH]c3ccc4nc(-c5ccc(O)cc5)c5c(c4c23)CCCC5)n1
InChIInChI=1S/C24H22N6O/c1-30-13-12-20(29-30)26-24-22-19(27-28-24)11-10-18-21(22)16-4-2-3-5-17(16)23(25-18)14-6-8-15(31)9-7-14/h6-13,31H,2-5H2,1H3,(H2,26,27,28,29)
InChIKeyORCMQVNZOFVGME-UHFFFAOYSA-N
XLogP4.84
TPSA91.65 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.48
LogP ≤ 54.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[(1-methylpyrazol-3-yl)amino]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-7-yl]phenol?
The IUPAC name of 4-[1-[(1-methylpyrazol-3-yl)amino]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-7-yl]phenol (CID 155151834) is 4-[1-[(1-methylpyrazol-3-yl)amino]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-7-yl]phenol.
What is the SMILES notation for 4-[1-[(1-methylpyrazol-3-yl)amino]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-7-yl]phenol?
The canonical SMILES for 4-[1-[(1-methylpyrazol-3-yl)amino]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-7-yl]phenol is Cn1ccc(Nc2n[nH]c3ccc4nc(-c5ccc(O)cc5)c5c(c4c23)CCCC5)n1.
What is the InChIKey of 4-[1-[(1-methylpyrazol-3-yl)amino]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-7-yl]phenol?
The InChIKey is ORCMQVNZOFVGME-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N6O/c1-30-13-12-20(29-30)26-24-22-19(27-28-24)11-10-18-21(22)16-4-2-3-5-17(16)23(25-18)14-6-8-15(31)9-7-14/h6-13,31H,2-5H2,1H3,(H2,26,27,28,29).
What are the key properties of 4-[1-[(1-methylpyrazol-3-yl)amino]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-7-yl]phenol?
4-[1-[(1-methylpyrazol-3-yl)amino]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-7-yl]phenol has a molecular weight of 410.48 g/mol, XLogP of 4.84, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(1-methylpyrazol-3-yl)amino]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-7-yl]phenol is sourced from PubChem (CID 155151834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).