1-(C,N-dimethylcarbonimidoyl)-6-(1H-indazol-5-yl)-7,8,9,10-tetrahydrophenanthridin-2-amine

C23H23N5 — CID 142445604

IUPAC1-(C,N-dimethylcarbonimidoyl)-6-(1H-indazol-5-yl)-7,8,9,10-tetrahydrophenanthridin-2-amine
SMILESC/N=C(\C)c1c(N)ccc2nc(-c3ccc4[nH]ncc4c3)c3c(c12)CCCC3
InChIInChI=1S/C23H23N5/c1-13(25-2)21-18(24)8-10-20-22(21)16-5-3-4-6-17(16)23(27-20)14-7-9-19-15(11-14)12-26-28-19/h7-12H,3-6,24H2,1-2H3,(H,26,28)/b25-13+
InChIKeyUSMHJJLGXIVUCT-DHRITJCHSA-N
MW369.47 g/mol
LogP4.68
Rot. Bonds2

About 1-(C,N-dimethylcarbonimidoyl)-6-(1H-indazol-5-yl)-7,8,9,10-tetrahydrophenanthridin-2-amine

1-(C,N-dimethylcarbonimidoyl)-6-(1H-indazol-5-yl)-7,8,9,10-tetrahydrophenanthridin-2-amine (PubChem CID 142445604) has the molecular formula C23H23N5 and a molecular weight of 369.47 g/mol. Its IUPAC name is 1-(C,N-dimethylcarbonimidoyl)-6-(1H-indazol-5-yl)-7,8,9,10-tetrahydrophenanthridin-2-amine.

Molecular Properties

Compound Name1-(C,N-dimethylcarbonimidoyl)-6-(1H-indazol-5-yl)-7,8,9,10-tetrahydrophenanthridin-2-amine
PubChem CID142445604
Molecular FormulaC23H23N5
Molecular Weight369.47 g/mol
Exact Mass369.20
IUPAC Name1-(C,N-dimethylcarbonimidoyl)-6-(1H-indazol-5-yl)-7,8,9,10-tetrahydrophenanthridin-2-amine
SMILESC/N=C(\C)c1c(N)ccc2nc(-c3ccc4[nH]ncc4c3)c3c(c12)CCCC3
InChIInChI=1S/C23H23N5/c1-13(25-2)21-18(24)8-10-20-22(21)16-5-3-4-6-17(16)23(27-20)14-7-9-19-15(11-14)12-26-28-19/h7-12H,3-6,24H2,1-2H3,(H,26,28)/b25-13+
InChIKeyUSMHJJLGXIVUCT-DHRITJCHSA-N
XLogP4.68
TPSA79.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

4-(2-amino-1-ethanimidoyl-7,8,9,10-tetrahydrophenanthridin-6-yl)-2-fluorophenol
CID 170221387
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
N'-hydroxy-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)benzenecarboximidamide
CID 142445480
2-[N-(2-hydroxyethyl)-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)anilino]ethanol
CID 155151677
(NE)-N-[1-(1H-indazol-5-yl)ethylidene]hydroxylamine
CID 87086002
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
N-(2-pyrrolidin-1-ylethyl)-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)benzamide
CID 171365058
5-[2-(2-methylazetidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-1H-indazole
CID 175506591
4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)-1H-pyrazole-5-carboxamide
CID 155151663
7-(2H-triazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine
CID 150584799
N-(2-piperidin-1-ylethyl)-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)benzamide
CID 165437318
6-(3-amino-4-methanimidoylphenyl)-1-methanimidoyl-7,8,9,10-tetrahydrophenanthridin-2-amine
CID 142445238

Frequently Asked Questions

What is the IUPAC name of 1-(C,N-dimethylcarbonimidoyl)-6-(1H-indazol-5-yl)-7,8,9,10-tetrahydrophenanthridin-2-amine?
The IUPAC name of 1-(C,N-dimethylcarbonimidoyl)-6-(1H-indazol-5-yl)-7,8,9,10-tetrahydrophenanthridin-2-amine (CID 142445604) is 1-(C,N-dimethylcarbonimidoyl)-6-(1H-indazol-5-yl)-7,8,9,10-tetrahydrophenanthridin-2-amine.
What is the SMILES notation for 1-(C,N-dimethylcarbonimidoyl)-6-(1H-indazol-5-yl)-7,8,9,10-tetrahydrophenanthridin-2-amine?
The canonical SMILES for 1-(C,N-dimethylcarbonimidoyl)-6-(1H-indazol-5-yl)-7,8,9,10-tetrahydrophenanthridin-2-amine is C/N=C(\C)c1c(N)ccc2nc(-c3ccc4[nH]ncc4c3)c3c(c12)CCCC3.
What is the InChIKey of 1-(C,N-dimethylcarbonimidoyl)-6-(1H-indazol-5-yl)-7,8,9,10-tetrahydrophenanthridin-2-amine?
The InChIKey is USMHJJLGXIVUCT-DHRITJCHSA-N. The full InChI is InChI=1S/C23H23N5/c1-13(25-2)21-18(24)8-10-20-22(21)16-5-3-4-6-17(16)23(27-20)14-7-9-19-15(11-14)12-26-28-19/h7-12H,3-6,24H2,1-2H3,(H,26,28)/b25-13+.
What are the key properties of 1-(C,N-dimethylcarbonimidoyl)-6-(1H-indazol-5-yl)-7,8,9,10-tetrahydrophenanthridin-2-amine?
1-(C,N-dimethylcarbonimidoyl)-6-(1H-indazol-5-yl)-7,8,9,10-tetrahydrophenanthridin-2-amine has a molecular weight of 369.47 g/mol, XLogP of 4.68, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(C,N-dimethylcarbonimidoyl)-6-(1H-indazol-5-yl)-7,8,9,10-tetrahydrophenanthridin-2-amine is sourced from PubChem (CID 142445604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).