7-(1H-indazol-5-yl)-N-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine-9-carboxamide

C31H25N9O — CID 142445784

IUPAC7-(1H-indazol-5-yl)-N-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine-9-carboxamide
SMILESCn1cnnc1-c1ccc(NC(=O)C2CCc3c(c(-c4ccc5[nH]ncc5c4)nc4ccc5[nH]ncc5c34)C2)cc1
InChIInChI=1S/C31H25N9O/c1-40-16-34-39-30(40)17-2-6-21(7-3-17)35-31(41)19-4-8-22-23(13-19)29(18-5-9-25-20(12-18)14-32-37-25)36-27-11-10-26-24(28(22)27)15-33-38-26/h2-3,5-7,9-12,14-16,19H,4,8,13H2,1H3,(H,32,37)(H,33,38)(H,35,41)
InChIKeyQWZBXACYADKVMP-UHFFFAOYSA-N
MW539.60 g/mol
LogP5.19
Rot. Bonds4

About 7-(1H-indazol-5-yl)-N-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine-9-carboxamide

7-(1H-indazol-5-yl)-N-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine-9-carboxamide (PubChem CID 142445784) has the molecular formula C31H25N9O and a molecular weight of 539.60 g/mol. Its IUPAC name is 7-(1H-indazol-5-yl)-N-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine-9-carboxamide.

Molecular Properties

Compound Name7-(1H-indazol-5-yl)-N-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine-9-carboxamide
PubChem CID142445784
Molecular FormulaC31H25N9O
Molecular Weight539.60 g/mol
Exact Mass539.22
IUPAC Name7-(1H-indazol-5-yl)-N-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine-9-carboxamide
SMILESCn1cnnc1-c1ccc(NC(=O)C2CCc3c(c(-c4ccc5[nH]ncc5c4)nc4ccc5[nH]ncc5c34)C2)cc1
InChIInChI=1S/C31H25N9O/c1-40-16-34-39-30(40)17-2-6-21(7-3-17)35-31(41)19-4-8-22-23(13-19)29(18-5-9-25-20(12-18)14-32-37-25)36-27-11-10-26-24(28(22)27)15-33-38-26/h2-3,5-7,9-12,14-16,19H,4,8,13H2,1H3,(H,32,37)(H,33,38)(H,35,41)
InChIKeyQWZBXACYADKVMP-UHFFFAOYSA-N
XLogP5.19
TPSA130.06 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500539.60
LogP ≤ 55.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 7-(1H-indazol-5-yl)-N-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine-9-carboxamide with MolForge

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Related Compounds

N-(2-pyrrolidin-1-ylethyl)-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)benzamide
CID 171365058
N-(2-piperidin-1-ylethyl)-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)benzamide
CID 165437318
2-[4-[[ethyl-[2-(methylamino)ethyl]amino]methyl]-3-methylphenyl]-1-[7-(4-hydroxyphenyl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-9-yl]ethanone
CID 161095100
3-methyl-N-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]pyrrolidine-2-carboxamide
CID 102777793
(3S)-N-(1H-indazol-5-yl)-1,1-dioxothiolane-3-carboxamide
CID 97079601
N-[(1-methylimidazol-2-yl)methyl]-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)benzamide
CID 170610597
4-(1H-indazol-5-ylamino)-N-(1-methylpyrazol-4-yl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine-7-carboxamide
CID 118060888
2-[4-[5-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)-1H-indol-3-yl]piperazin-1-yl]ethanol
CID 155151651
1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[7-(1H-isoindol-5-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-9-yl]urea
CID 158581962
N-(3-morpholin-4-ylpropyl)-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)benzamide
CID 175963820
2-[4-[7-(1H-indazol-5-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]triazol-2-yl]-N,N-dimethylacetamide
CID 155151856
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Frequently Asked Questions

What is the IUPAC name of 7-(1H-indazol-5-yl)-N-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine-9-carboxamide?
The IUPAC name of 7-(1H-indazol-5-yl)-N-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine-9-carboxamide (CID 142445784) is 7-(1H-indazol-5-yl)-N-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine-9-carboxamide.
What is the SMILES notation for 7-(1H-indazol-5-yl)-N-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine-9-carboxamide?
The canonical SMILES for 7-(1H-indazol-5-yl)-N-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine-9-carboxamide is Cn1cnnc1-c1ccc(NC(=O)C2CCc3c(c(-c4ccc5[nH]ncc5c4)nc4ccc5[nH]ncc5c34)C2)cc1.
What is the InChIKey of 7-(1H-indazol-5-yl)-N-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine-9-carboxamide?
The InChIKey is QWZBXACYADKVMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H25N9O/c1-40-16-34-39-30(40)17-2-6-21(7-3-17)35-31(41)19-4-8-22-23(13-19)29(18-5-9-25-20(12-18)14-32-37-25)36-27-11-10-26-24(28(22)27)15-33-38-26/h2-3,5-7,9-12,14-16,19H,4,8,13H2,1H3,(H,32,37)(H,33,38)(H,35,41).
What are the key properties of 7-(1H-indazol-5-yl)-N-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine-9-carboxamide?
7-(1H-indazol-5-yl)-N-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine-9-carboxamide has a molecular weight of 539.60 g/mol, XLogP of 5.19, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1H-indazol-5-yl)-N-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine-9-carboxamide is sourced from PubChem (CID 142445784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).