5-fluoro-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;[7-(2-methyl-1,3-benzothiazol-6-yl)-3H-pyrazolo[4,5-f]quinolin-9-yl] formate;1-methyl-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridine;7-(5-methyl-2H-pyrrol-4-yl)-9-pyridin-2-yl-3H-pyrazolo[4,5-f]quinoline — IUPAC name, SMILES, InChIKey & properties

Name: 5-fluoro-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;[7-(2-methyl-1,3-benzothiazol-6-yl)-3H-pyrazolo[4,5-f]quinolin-9-yl] formate;1-methyl-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridine;7-(5-methyl-2H-pyrrol-4-yl)-9-pyridin-2-yl-3H-pyrazolo[4,5-f]quinoline — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

About 5-fluoro-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;[7-(2-methyl-1,3-benzothiazol-6-yl)-3H-pyrazolo[4,5-f]quinolin-9-yl] formate;1-methyl-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridine;7-(5-methyl-2H-pyrrol-4-yl)-9-pyridin-2-yl-3H-pyrazolo[4,5-f]quinoline

5-fluoro-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;[7-(2-methyl-1,3-benzothiazol-6-yl)-3H-pyrazolo[4,5-f]quinolin-9-yl] formate;1-methyl-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridine;7-(5-methyl-2H-pyrrol-4-yl)-9-pyridin-2-yl-3H-pyrazolo[4,5-f]quinoline (PubChem CID 158939510) has the molecular formula C76H62FN19O2S and a molecular weight of 1324.53 g/mol. Its IUPAC name is 5-fluoro-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;[7-(2-methyl-1,3-benzothiazol-6-yl)-3H-pyrazolo[4,5-f]quinolin-9-yl] formate;1-methyl-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridine;7-(5-methyl-2H-pyrrol-4-yl)-9-pyridin-2-yl-3H-pyrazolo[4,5-f]quinoline.

Molecular Properties

Compound Name	5-fluoro-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;[7-(2-methyl-1,3-benzothiazol-6-yl)-3H-pyrazolo[4,5-f]quinolin-9-yl] formate;1-methyl-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridine;7-(5-methyl-2H-pyrrol-4-yl)-9-pyridin-2-yl-3H-pyrazolo[4,5-f]quinoline
PubChem CID	158939510
Molecular Formula	C76H62FN19O2S
Molecular Weight	1324.53 g/mol
Exact Mass	1323.50
IUPAC Name	5-fluoro-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;[7-(2-methyl-1,3-benzothiazol-6-yl)-3H-pyrazolo[4,5-f]quinolin-9-yl] formate;1-methyl-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridine;7-(5-methyl-2H-pyrrol-4-yl)-9-pyridin-2-yl-3H-pyrazolo[4,5-f]quinoline
SMILES	CC1=NCC=C1c1cc(-c2ccccn2)c2c(ccc3[nH]ncc32)n1.Cc1[nH]ncc1-c1nc2c(F)cc3[nH]ncc3c2c2c1CCCC2.Cc1[nH]ncc1-c1nc2ccc3n[nH]c(C)c3c2c2c1CCCC2.Cc1nc2ccc(-c3cc(OC=O)c4c(ccc5[nH]ncc54)n3)cc2s1
InChI	InChI=1S/C20H15N5.C19H19N5.C19H12N4O2S.C18H16FN5/c1-12-13(7-9-21-12)19-10-14(16-4-2-3-8-22-16)20-15-11-23-25-17(15)5-6-18(20)24-19;1-10-14(9-20-22-10)19-13-6-4-3-5-12(13)18-15(21-19)7-8-16-17(18)11(2)23-24-16;1-10-21-14-3-2-11(6-18(14)26-10)16-7-17(25-9-24)19-12-8-20-23-13(12)4-5-15(19)22-16;1-9-12(7-20-23-9)17-11-5-3-2-4-10(11)16-13-8-21-24-15(13)6-14(19)18(16)22-17/h2-8,10-11H,9H2,1H3,(H,23,25);7-9H,3-6H2,1-2H3,(H,20,22)(H,23,24);2-9H,1H3,(H,20,23);6-8H,2-5H2,1H3,(H,20,23)(H,21,24)
InChIKey	JKBMGKKPEFRTEI-UHFFFAOYSA-N
XLogP	16.09
TPSA	288.08 Å²
H-Bond Donors	6
H-Bond Acceptors	16
Rotatable Bonds	7
Heavy Atoms	99
Complexity	—

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1324.53
LogP ≤ 5	16.09
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Analyze 5-fluoro-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;[7-(2-methyl-1,3-benzothiazol-6-yl)-3H-pyrazolo[4,5-f]quinolin-9-yl] formate;1-methyl-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridine;7-(5-methyl-2H-pyrrol-4-yl)-9-pyridin-2-yl-3H-pyrazolo[4,5-f]quinoline with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;[7-(2-methyl-1,3-benzothiazol-6-yl)-3H-pyrazolo[4,5-f]quinolin-9-yl] formate;1-methyl-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridine;7-(5-methyl-2H-pyrrol-4-yl)-9-pyridin-2-yl-3H-pyrazolo[4,5-f]quinoline?

The IUPAC name of 5-fluoro-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;[7-(2-methyl-1,3-benzothiazol-6-yl)-3H-pyrazolo[4,5-f]quinolin-9-yl] formate;1-methyl-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridine;7-(5-methyl-2H-pyrrol-4-yl)-9-pyridin-2-yl-3H-pyrazolo[4,5-f]quinoline (CID 158939510) is 5-fluoro-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;[7-(2-methyl-1,3-benzothiazol-6-yl)-3H-pyrazolo[4,5-f]quinolin-9-yl] formate;1-methyl-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridine;7-(5-methyl-2H-pyrrol-4-yl)-9-pyridin-2-yl-3H-pyrazolo[4,5-f]quinoline.

What is the SMILES notation for 5-fluoro-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;[7-(2-methyl-1,3-benzothiazol-6-yl)-3H-pyrazolo[4,5-f]quinolin-9-yl] formate;1-methyl-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridine;7-(5-methyl-2H-pyrrol-4-yl)-9-pyridin-2-yl-3H-pyrazolo[4,5-f]quinoline?

The canonical SMILES for 5-fluoro-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;[7-(2-methyl-1,3-benzothiazol-6-yl)-3H-pyrazolo[4,5-f]quinolin-9-yl] formate;1-methyl-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridine;7-(5-methyl-2H-pyrrol-4-yl)-9-pyridin-2-yl-3H-pyrazolo[4,5-f]quinoline is CC1=NCC=C1c1cc(-c2ccccn2)c2c(ccc3[nH]ncc32)n1.Cc1[nH]ncc1-c1nc2c(F)cc3[nH]ncc3c2c2c1CCCC2.Cc1[nH]ncc1-c1nc2ccc3n[nH]c(C)c3c2c2c1CCCC2.Cc1nc2ccc(-c3cc(OC=O)c4c(ccc5[nH]ncc54)n3)cc2s1.

What is the InChIKey of 5-fluoro-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;[7-(2-methyl-1,3-benzothiazol-6-yl)-3H-pyrazolo[4,5-f]quinolin-9-yl] formate;1-methyl-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridine;7-(5-methyl-2H-pyrrol-4-yl)-9-pyridin-2-yl-3H-pyrazolo[4,5-f]quinoline?

The InChIKey is JKBMGKKPEFRTEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N5.C19H19N5.C19H12N4O2S.C18H16FN5/c1-12-13(7-9-21-12)19-10-14(16-4-2-3-8-22-16)20-15-11-23-25-17(15)5-6-18(20)24-19;1-10-14(9-20-22-10)19-13-6-4-3-5-12(13)18-15(21-19)7-8-16-17(18)11(2)23-24-16;1-10-21-14-3-2-11(6-18(14)26-10)16-7-17(25-9-24)19-12-8-20-23-13(12)4-5-15(19)22-16;1-9-12(7-20-23-9)17-11-5-3-2-4-10(11)16-13-8-21-24-15(13)6-14(19)18(16)22-17/h2-8,10-11H,9H2,1H3,(H,23,25);7-9H,3-6H2,1-2H3,(H,20,22)(H,23,24);2-9H,1H3,(H,20,23);6-8H,2-5H2,1H3,(H,20,23)(H,21,24).

What are the key properties of 5-fluoro-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;[7-(2-methyl-1,3-benzothiazol-6-yl)-3H-pyrazolo[4,5-f]quinolin-9-yl] formate;1-methyl-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridine;7-(5-methyl-2H-pyrrol-4-yl)-9-pyridin-2-yl-3H-pyrazolo[4,5-f]quinoline?

Where does this data come from?

All data for 5-fluoro-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;[7-(2-methyl-1,3-benzothiazol-6-yl)-3H-pyrazolo[4,5-f]quinolin-9-yl] formate;1-methyl-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridine;7-(5-methyl-2H-pyrrol-4-yl)-9-pyridin-2-yl-3H-pyrazolo[4,5-f]quinoline is sourced from PubChem (CID 158939510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).