2-fluoro-4-(8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl)phenol;2-hydroxy-5-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)benzoic acid;7-pyrimidin-5-yl-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;5-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)-1,3-thiazol-2-amine;4-(8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl)aniline;5-(8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl)-1,3-thiazol-2-amine

C116H99FN22O4S2 — CID 157365611

IUPAC2-fluoro-4-(8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl)phenol;2-hydroxy-5-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)benzoic acid;7-pyrimidin-5-yl-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;5-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)-1,3-thiazol-2-amine;4-(8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl)aniline;5-(8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl)-1,3-thiazol-2-amine
SMILESNc1ccc(-c2[nH]c3ccc4nccc4c3c3c2CCCC3)cc1.Nc1ncc(-c2[nH]c3ccc4nccc4c3c3c2CCCC3)s1.Nc1ncc(-c2nc3ccc4[nH]ncc4c3c3c2CCCC3)s1.O=C(O)c1cc(-c2nc3ccc4[nH]ncc4c3c3c2CCCC3)ccc1O.Oc1ccc(-c2[nH]c3ccc4nccc4c3c3c2CCCC3)cc1F.c1ncc(-c2nc3ccc4[nH]ncc4c3c3c2CCCC3)cn1
InChIInChI=1S/C21H17FN2O.C21H17N3O3.C21H19N3.C18H15N5.C18H16N4S.C17H15N5S/c22-16-11-12(5-8-19(16)25)21-14-4-2-1-3-13(14)20-15-9-10-23-17(15)6-7-18(20)24-21;25-18-8-5-11(9-14(18)21(26)27)20-13-4-2-1-3-12(13)19-15-10-22-24-16(15)6-7-17(19)23-20;22-14-7-5-13(6-8-14)21-16-4-2-1-3-15(16)20-17-11-12-23-18(17)9-10-19(20)24-21;1-2-4-13-12(3-1)17-14-9-21-23-15(14)5-6-16(17)22-18(13)11-7-19-10-20-8-11;19-18-21-9-15(23-18)17-11-4-2-1-3-10(11)16-12-7-8-20-13(12)5-6-14(16)22-17;18-17-19-8-14(23-17)16-10-4-2-1-3-9(10)15-11-7-20-22-12(11)5-6-13(15)21-16/h5-11,24-25H,1-4H2;5-10,25H,1-4H2,(H,22,24)(H,26,27);5-12,24H,1-4,22H2;5-10H,1-4H2,(H,21,23);5-9,22H,1-4H2,(H2,19,21);5-8H,1-4H2,(H2,18,19)(H,20,22)
InChIKeyGRHDAYRYBRENBD-UHFFFAOYSA-N
MW1948.35 g/mol
LogP25.45
Rot. Bonds7

About 2-fluoro-4-(8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl)phenol;2-hydroxy-5-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)benzoic acid;7-pyrimidin-5-yl-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;5-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)-1,3-thiazol-2-amine;4-(8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl)aniline;5-(8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl)-1,3-thiazol-2-amine

2-fluoro-4-(8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl)phenol;2-hydroxy-5-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)benzoic acid;7-pyrimidin-5-yl-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;5-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)-1,3-thiazol-2-amine;4-(8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl)aniline;5-(8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl)-1,3-thiazol-2-amine (PubChem CID 157365611) has the molecular formula C116H99FN22O4S2 and a molecular weight of 1948.35 g/mol. Its IUPAC name is 2-fluoro-4-(8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl)phenol;2-hydroxy-5-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)benzoic acid;7-pyrimidin-5-yl-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;5-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)-1,3-thiazol-2-amine;4-(8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl)aniline;5-(8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name2-fluoro-4-(8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl)phenol;2-hydroxy-5-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)benzoic acid;7-pyrimidin-5-yl-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;5-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)-1,3-thiazol-2-amine;4-(8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl)aniline;5-(8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl)-1,3-thiazol-2-amine
PubChem CID157365611
Molecular FormulaC116H99FN22O4S2
Molecular Weight1948.35 g/mol
Exact Mass1946.76
IUPAC Name2-fluoro-4-(8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl)phenol;2-hydroxy-5-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)benzoic acid;7-pyrimidin-5-yl-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;5-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)-1,3-thiazol-2-amine;4-(8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl)aniline;5-(8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl)-1,3-thiazol-2-amine
SMILESNc1ccc(-c2[nH]c3ccc4nccc4c3c3c2CCCC3)cc1.Nc1ncc(-c2[nH]c3ccc4nccc4c3c3c2CCCC3)s1.Nc1ncc(-c2nc3ccc4[nH]ncc4c3c3c2CCCC3)s1.O=C(O)c1cc(-c2nc3ccc4[nH]ncc4c3c3c2CCCC3)ccc1O.Oc1ccc(-c2[nH]c3ccc4nccc4c3c3c2CCCC3)cc1F.c1ncc(-c2nc3ccc4[nH]ncc4c3c3c2CCCC3)cn1
InChIInChI=1S/C21H17FN2O.C21H17N3O3.C21H19N3.C18H15N5.C18H16N4S.C17H15N5S/c22-16-11-12(5-8-19(16)25)21-14-4-2-1-3-13(14)20-15-9-10-23-17(15)6-7-18(20)24-21;25-18-8-5-11(9-14(18)21(26)27)20-13-4-2-1-3-12(13)19-15-10-22-24-16(15)6-7-17(19)23-20;22-14-7-5-13(6-8-14)21-16-4-2-1-3-15(16)20-17-11-12-23-18(17)9-10-19(20)24-21;1-2-4-13-12(3-1)17-14-9-21-23-15(14)5-6-16(17)22-18(13)11-7-19-10-20-8-11;19-18-21-9-15(23-18)17-11-4-2-1-3-10(11)16-12-7-8-20-13(12)5-6-14(16)22-17;18-17-19-8-14(23-17)16-10-4-2-1-3-9(10)15-11-7-20-22-12(11)5-6-13(15)21-16/h5-11,24-25H,1-4H2;5-10,25H,1-4H2,(H,22,24)(H,26,27);5-12,24H,1-4,22H2;5-10H,1-4H2,(H,21,23);5-9,22H,1-4H2,(H2,19,21);5-8H,1-4H2,(H2,18,19)(H,20,22)
InChIKeyGRHDAYRYBRENBD-UHFFFAOYSA-N
XLogP25.45
TPSA418.13 Ų
H-Bond Donors12
H-Bond Acceptors21
Rotatable Bonds7
Heavy Atoms145
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001948.35
LogP ≤ 525.45
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

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

Analyze 2-fluoro-4-(8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl)phenol;2-hydroxy-5-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)benzoic acid;7-pyrimidin-5-yl-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;5-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)-1,3-thiazol-2-amine;4-(8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl)aniline;5-(8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl)-1,3-thiazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[N-(3a,7a-dihydro-1H-indazol-5-yl)-C-(cyclohexen-1-yl)carbonimidoyl]-1,3-thiazol-2-amine;5-[4-butyl-5-(5-ethenyl-1H-pyrazol-4-yl)-2-pyridinyl]-2-hydroxybenzoic acid;5-[C-(cyclohexen-1-yl)-N-(1H-indol-5-yl)carbonimidoyl]-1,3-thiazol-2-amine;2-fluoro-4-(8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl)phenol;7-pyrimidin-5-yl-3a,6,7,8,9,10,11,11c-octahydro-3H-pyrazolo[4,3-a]phenanthridine
CID 159909098
3-fluoro-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenol;7-(1H-indazol-5-yl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine;7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;bis(6-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)-1,3-benzothiazol-2-amine)
CID 163926760

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-(8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl)phenol;2-hydroxy-5-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)benzoic acid;7-pyrimidin-5-yl-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;5-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)-1,3-thiazol-2-amine;4-(8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl)aniline;5-(8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl)-1,3-thiazol-2-amine?
The IUPAC name of 2-fluoro-4-(8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl)phenol;2-hydroxy-5-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)benzoic acid;7-pyrimidin-5-yl-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;5-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)-1,3-thiazol-2-amine;4-(8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl)aniline;5-(8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl)-1,3-thiazol-2-amine (CID 157365611) is 2-fluoro-4-(8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl)phenol;2-hydroxy-5-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)benzoic acid;7-pyrimidin-5-yl-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;5-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)-1,3-thiazol-2-amine;4-(8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl)aniline;5-(8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for 2-fluoro-4-(8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl)phenol;2-hydroxy-5-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)benzoic acid;7-pyrimidin-5-yl-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;5-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)-1,3-thiazol-2-amine;4-(8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl)aniline;5-(8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl)-1,3-thiazol-2-amine?
The canonical SMILES for 2-fluoro-4-(8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl)phenol;2-hydroxy-5-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)benzoic acid;7-pyrimidin-5-yl-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;5-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)-1,3-thiazol-2-amine;4-(8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl)aniline;5-(8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl)-1,3-thiazol-2-amine is Nc1ccc(-c2[nH]c3ccc4nccc4c3c3c2CCCC3)cc1.Nc1ncc(-c2[nH]c3ccc4nccc4c3c3c2CCCC3)s1.Nc1ncc(-c2nc3ccc4[nH]ncc4c3c3c2CCCC3)s1.O=C(O)c1cc(-c2nc3ccc4[nH]ncc4c3c3c2CCCC3)ccc1O.Oc1ccc(-c2[nH]c3ccc4nccc4c3c3c2CCCC3)cc1F.c1ncc(-c2nc3ccc4[nH]ncc4c3c3c2CCCC3)cn1.
What is the InChIKey of 2-fluoro-4-(8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl)phenol;2-hydroxy-5-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)benzoic acid;7-pyrimidin-5-yl-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;5-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)-1,3-thiazol-2-amine;4-(8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl)aniline;5-(8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl)-1,3-thiazol-2-amine?
The InChIKey is GRHDAYRYBRENBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN2O.C21H17N3O3.C21H19N3.C18H15N5.C18H16N4S.C17H15N5S/c22-16-11-12(5-8-19(16)25)21-14-4-2-1-3-13(14)20-15-9-10-23-17(15)6-7-18(20)24-21;25-18-8-5-11(9-14(18)21(26)27)20-13-4-2-1-3-12(13)19-15-10-22-24-16(15)6-7-17(19)23-20;22-14-7-5-13(6-8-14)21-16-4-2-1-3-15(16)20-17-11-12-23-18(17)9-10-19(20)24-21;1-2-4-13-12(3-1)17-14-9-21-23-15(14)5-6-16(17)22-18(13)11-7-19-10-20-8-11;19-18-21-9-15(23-18)17-11-4-2-1-3-10(11)16-12-7-8-20-13(12)5-6-14(16)22-17;18-17-19-8-14(23-17)16-10-4-2-1-3-9(10)15-11-7-20-22-12(11)5-6-13(15)21-16/h5-11,24-25H,1-4H2;5-10,25H,1-4H2,(H,22,24)(H,26,27);5-12,24H,1-4,22H2;5-10H,1-4H2,(H,21,23);5-9,22H,1-4H2,(H2,19,21);5-8H,1-4H2,(H2,18,19)(H,20,22).
What are the key properties of 2-fluoro-4-(8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl)phenol;2-hydroxy-5-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)benzoic acid;7-pyrimidin-5-yl-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;5-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)-1,3-thiazol-2-amine;4-(8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl)aniline;5-(8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl)-1,3-thiazol-2-amine?
2-fluoro-4-(8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl)phenol;2-hydroxy-5-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)benzoic acid;7-pyrimidin-5-yl-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;5-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)-1,3-thiazol-2-amine;4-(8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl)aniline;5-(8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl)-1,3-thiazol-2-amine has a molecular weight of 1948.35 g/mol, XLogP of 25.45, 7 rotatable bonds, 12 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-(8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl)phenol;2-hydroxy-5-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)benzoic acid;7-pyrimidin-5-yl-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;5-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)-1,3-thiazol-2-amine;4-(8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl)aniline;5-(8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 157365611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).