3,7-di(propan-2-yl)-2H-pyrazolo[4,3-c]quinoline;3,7-di(propan-2-yl)-2H-pyrazolo[3,4-e][1,3]benzothiazole;3,8-di(propan-2-yl)-2H-pyrazolo[3,4-f]quinoline;3,7-di(propan-2-yl)-2H-pyrazolo[4,3-g][1,3]benzothiazole;3,7-di(propan-2-yl)-2H-pyrazolo[4,3-h]quinoline;3,8-di(propan-2-yl)-2H-pyrazolo[4,3-h]quinoline;3,7-di(propan-2-yl)-2H-thieno[2,3-g]indazole;3,7-di(propan-2-yl)-2H-thieno[3,2-g]indazole

C122H146N22S4 — CID 158101800

IUPAC3,7-di(propan-2-yl)-2H-pyrazolo[4,3-c]quinoline;3,7-di(propan-2-yl)-2H-pyrazolo[3,4-e][1,3]benzothiazole;3,8-di(propan-2-yl)-2H-pyrazolo[3,4-f]quinoline;3,7-di(propan-2-yl)-2H-pyrazolo[4,3-g][1,3]benzothiazole;3,7-di(propan-2-yl)-2H-pyrazolo[4,3-h]quinoline;3,8-di(propan-2-yl)-2H-pyrazolo[4,3-h]quinoline;3,7-di(propan-2-yl)-2H-thieno[2,3-g]indazole;3,7-di(propan-2-yl)-2H-thieno[3,2-g]indazole
SMILESCC(C)c1cc2c(ccc3c(C(C)C)[nH]nc32)s1.CC(C)c1cc2ccc3c(C(C)C)[nH]nc3c2s1.CC(C)c1ccc2c(c1)ncc1c(C(C)C)[nH]nc12.CC(C)c1ccc2ccc3c(C(C)C)[nH]nc3c2n1.CC(C)c1cnc2c(ccc3c(C(C)C)[nH]nc32)c1.CC(C)c1cnc2ccc3c(C(C)C)[nH]nc3c2c1.CC(C)c1nc2c(ccc3c(C(C)C)[nH]nc32)s1.CC(C)c1nc2ccc3c(C(C)C)[nH]nc3c2s1
InChIInChI=1S/4C16H19N3.2C15H18N2S.2C14H17N3S/c1-9(2)13-8-6-11-5-7-12-14(10(3)4)18-19-16(12)15(11)17-13;1-9(2)11-7-13-14(17-8-11)6-5-12-15(10(3)4)18-19-16(12)13;1-9(2)12-7-11-5-6-13-14(10(3)4)18-19-16(13)15(11)17-8-12;1-9(2)11-5-6-12-14(7-11)17-8-13-15(10(3)4)18-19-16(12)13;1-8(2)13-7-11-12(18-13)6-5-10-14(9(3)4)16-17-15(10)11;1-8(2)12-7-10-5-6-11-13(9(3)4)16-17-14(11)15(10)18-12;1-7(2)11-9-5-6-10-13(12(9)17-16-11)15-14(18-10)8(3)4;1-7(2)11-9-5-6-10-13(12(9)17-16-11)18-14(15-10)8(3)4/h4*5-10H,1-4H3,(H,18,19);2*5-9H,1-4H3,(H,16,17);2*5-8H,1-4H3,(H,16,17)
InChIKeyFPIVKHMBADDRJW-UHFFFAOYSA-N
MW2048.93 g/mol
LogP36.32
Rot. Bonds16

About 3,7-di(propan-2-yl)-2H-pyrazolo[4,3-c]quinoline;3,7-di(propan-2-yl)-2H-pyrazolo[3,4-e][1,3]benzothiazole;3,8-di(propan-2-yl)-2H-pyrazolo[3,4-f]quinoline;3,7-di(propan-2-yl)-2H-pyrazolo[4,3-g][1,3]benzothiazole;3,7-di(propan-2-yl)-2H-pyrazolo[4,3-h]quinoline;3,8-di(propan-2-yl)-2H-pyrazolo[4,3-h]quinoline;3,7-di(propan-2-yl)-2H-thieno[2,3-g]indazole;3,7-di(propan-2-yl)-2H-thieno[3,2-g]indazole

3,7-di(propan-2-yl)-2H-pyrazolo[4,3-c]quinoline;3,7-di(propan-2-yl)-2H-pyrazolo[3,4-e][1,3]benzothiazole;3,8-di(propan-2-yl)-2H-pyrazolo[3,4-f]quinoline;3,7-di(propan-2-yl)-2H-pyrazolo[4,3-g][1,3]benzothiazole;3,7-di(propan-2-yl)-2H-pyrazolo[4,3-h]quinoline;3,8-di(propan-2-yl)-2H-pyrazolo[4,3-h]quinoline;3,7-di(propan-2-yl)-2H-thieno[2,3-g]indazole;3,7-di(propan-2-yl)-2H-thieno[3,2-g]indazole (PubChem CID 158101800) has the molecular formula C122H146N22S4 and a molecular weight of 2048.93 g/mol. Its IUPAC name is 3,7-di(propan-2-yl)-2H-pyrazolo[4,3-c]quinoline;3,7-di(propan-2-yl)-2H-pyrazolo[3,4-e][1,3]benzothiazole;3,8-di(propan-2-yl)-2H-pyrazolo[3,4-f]quinoline;3,7-di(propan-2-yl)-2H-pyrazolo[4,3-g][1,3]benzothiazole;3,7-di(propan-2-yl)-2H-pyrazolo[4,3-h]quinoline;3,8-di(propan-2-yl)-2H-pyrazolo[4,3-h]quinoline;3,7-di(propan-2-yl)-2H-thieno[2,3-g]indazole;3,7-di(propan-2-yl)-2H-thieno[3,2-g]indazole.

Molecular Properties

Compound Name3,7-di(propan-2-yl)-2H-pyrazolo[4,3-c]quinoline;3,7-di(propan-2-yl)-2H-pyrazolo[3,4-e][1,3]benzothiazole;3,8-di(propan-2-yl)-2H-pyrazolo[3,4-f]quinoline;3,7-di(propan-2-yl)-2H-pyrazolo[4,3-g][1,3]benzothiazole;3,7-di(propan-2-yl)-2H-pyrazolo[4,3-h]quinoline;3,8-di(propan-2-yl)-2H-pyrazolo[4,3-h]quinoline;3,7-di(propan-2-yl)-2H-thieno[2,3-g]indazole;3,7-di(propan-2-yl)-2H-thieno[3,2-g]indazole
PubChem CID158101800
Molecular FormulaC122H146N22S4
Molecular Weight2048.93 g/mol
Exact Mass2047.10
IUPAC Name3,7-di(propan-2-yl)-2H-pyrazolo[4,3-c]quinoline;3,7-di(propan-2-yl)-2H-pyrazolo[3,4-e][1,3]benzothiazole;3,8-di(propan-2-yl)-2H-pyrazolo[3,4-f]quinoline;3,7-di(propan-2-yl)-2H-pyrazolo[4,3-g][1,3]benzothiazole;3,7-di(propan-2-yl)-2H-pyrazolo[4,3-h]quinoline;3,8-di(propan-2-yl)-2H-pyrazolo[4,3-h]quinoline;3,7-di(propan-2-yl)-2H-thieno[2,3-g]indazole;3,7-di(propan-2-yl)-2H-thieno[3,2-g]indazole
SMILESCC(C)c1cc2c(ccc3c(C(C)C)[nH]nc32)s1.CC(C)c1cc2ccc3c(C(C)C)[nH]nc3c2s1.CC(C)c1ccc2c(c1)ncc1c(C(C)C)[nH]nc12.CC(C)c1ccc2ccc3c(C(C)C)[nH]nc3c2n1.CC(C)c1cnc2c(ccc3c(C(C)C)[nH]nc32)c1.CC(C)c1cnc2ccc3c(C(C)C)[nH]nc3c2c1.CC(C)c1nc2c(ccc3c(C(C)C)[nH]nc32)s1.CC(C)c1nc2ccc3c(C(C)C)[nH]nc3c2s1
InChIInChI=1S/4C16H19N3.2C15H18N2S.2C14H17N3S/c1-9(2)13-8-6-11-5-7-12-14(10(3)4)18-19-16(12)15(11)17-13;1-9(2)11-7-13-14(17-8-11)6-5-12-15(10(3)4)18-19-16(12)13;1-9(2)12-7-11-5-6-13-14(10(3)4)18-19-16(13)15(11)17-8-12;1-9(2)11-5-6-12-14(7-11)17-8-13-15(10(3)4)18-19-16(12)13;1-8(2)13-7-11-12(18-13)6-5-10-14(9(3)4)16-17-15(10)11;1-8(2)12-7-10-5-6-11-13(9(3)4)16-17-14(11)15(10)18-12;1-7(2)11-9-5-6-10-13(12(9)17-16-11)15-14(18-10)8(3)4;1-7(2)11-9-5-6-10-13(12(9)17-16-11)18-14(15-10)8(3)4/h4*5-10H,1-4H3,(H,18,19);2*5-9H,1-4H3,(H,16,17);2*5-8H,1-4H3,(H,16,17)
InChIKeyFPIVKHMBADDRJW-UHFFFAOYSA-N
XLogP36.32
TPSA306.78 Ų
H-Bond Donors8
H-Bond Acceptors18
Rotatable Bonds16
Heavy Atoms148
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002048.93
LogP ≤ 536.32
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1018

Analyze 3,7-di(propan-2-yl)-2H-pyrazolo[4,3-c]quinoline;3,7-di(propan-2-yl)-2H-pyrazolo[3,4-e][1,3]benzothiazole;3,8-di(propan-2-yl)-2H-pyrazolo[3,4-f]quinoline;3,7-di(propan-2-yl)-2H-pyrazolo[4,3-g][1,3]benzothiazole;3,7-di(propan-2-yl)-2H-pyrazolo[4,3-h]quinoline;3,8-di(propan-2-yl)-2H-pyrazolo[4,3-h]quinoline;3,7-di(propan-2-yl)-2H-thieno[2,3-g]indazole;3,7-di(propan-2-yl)-2H-thieno[3,2-g]indazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3,7-di(propan-2-yl)-2H-pyrazolo[4,3-c]quinoline;3,7-di(propan-2-yl)-2H-pyrazolo[3,4-e][1,3]benzothiazole;3,8-di(propan-2-yl)-2H-pyrazolo[3,4-f]quinoline;3,7-di(propan-2-yl)-2H-pyrazolo[4,3-g][1,3]benzothiazole;3,7-di(propan-2-yl)-2H-pyrazolo[4,3-h]quinoline;3,8-di(propan-2-yl)-2H-pyrazolo[4,3-h]quinoline;3,7-di(propan-2-yl)-2H-thieno[2,3-g]indazole;3,7-di(propan-2-yl)-2H-thieno[3,2-g]indazole?
The IUPAC name of 3,7-di(propan-2-yl)-2H-pyrazolo[4,3-c]quinoline;3,7-di(propan-2-yl)-2H-pyrazolo[3,4-e][1,3]benzothiazole;3,8-di(propan-2-yl)-2H-pyrazolo[3,4-f]quinoline;3,7-di(propan-2-yl)-2H-pyrazolo[4,3-g][1,3]benzothiazole;3,7-di(propan-2-yl)-2H-pyrazolo[4,3-h]quinoline;3,8-di(propan-2-yl)-2H-pyrazolo[4,3-h]quinoline;3,7-di(propan-2-yl)-2H-thieno[2,3-g]indazole;3,7-di(propan-2-yl)-2H-thieno[3,2-g]indazole (CID 158101800) is 3,7-di(propan-2-yl)-2H-pyrazolo[4,3-c]quinoline;3,7-di(propan-2-yl)-2H-pyrazolo[3,4-e][1,3]benzothiazole;3,8-di(propan-2-yl)-2H-pyrazolo[3,4-f]quinoline;3,7-di(propan-2-yl)-2H-pyrazolo[4,3-g][1,3]benzothiazole;3,7-di(propan-2-yl)-2H-pyrazolo[4,3-h]quinoline;3,8-di(propan-2-yl)-2H-pyrazolo[4,3-h]quinoline;3,7-di(propan-2-yl)-2H-thieno[2,3-g]indazole;3,7-di(propan-2-yl)-2H-thieno[3,2-g]indazole.
What is the SMILES notation for 3,7-di(propan-2-yl)-2H-pyrazolo[4,3-c]quinoline;3,7-di(propan-2-yl)-2H-pyrazolo[3,4-e][1,3]benzothiazole;3,8-di(propan-2-yl)-2H-pyrazolo[3,4-f]quinoline;3,7-di(propan-2-yl)-2H-pyrazolo[4,3-g][1,3]benzothiazole;3,7-di(propan-2-yl)-2H-pyrazolo[4,3-h]quinoline;3,8-di(propan-2-yl)-2H-pyrazolo[4,3-h]quinoline;3,7-di(propan-2-yl)-2H-thieno[2,3-g]indazole;3,7-di(propan-2-yl)-2H-thieno[3,2-g]indazole?
The canonical SMILES for 3,7-di(propan-2-yl)-2H-pyrazolo[4,3-c]quinoline;3,7-di(propan-2-yl)-2H-pyrazolo[3,4-e][1,3]benzothiazole;3,8-di(propan-2-yl)-2H-pyrazolo[3,4-f]quinoline;3,7-di(propan-2-yl)-2H-pyrazolo[4,3-g][1,3]benzothiazole;3,7-di(propan-2-yl)-2H-pyrazolo[4,3-h]quinoline;3,8-di(propan-2-yl)-2H-pyrazolo[4,3-h]quinoline;3,7-di(propan-2-yl)-2H-thieno[2,3-g]indazole;3,7-di(propan-2-yl)-2H-thieno[3,2-g]indazole is CC(C)c1cc2c(ccc3c(C(C)C)[nH]nc32)s1.CC(C)c1cc2ccc3c(C(C)C)[nH]nc3c2s1.CC(C)c1ccc2c(c1)ncc1c(C(C)C)[nH]nc12.CC(C)c1ccc2ccc3c(C(C)C)[nH]nc3c2n1.CC(C)c1cnc2c(ccc3c(C(C)C)[nH]nc32)c1.CC(C)c1cnc2ccc3c(C(C)C)[nH]nc3c2c1.CC(C)c1nc2c(ccc3c(C(C)C)[nH]nc32)s1.CC(C)c1nc2ccc3c(C(C)C)[nH]nc3c2s1.
What is the InChIKey of 3,7-di(propan-2-yl)-2H-pyrazolo[4,3-c]quinoline;3,7-di(propan-2-yl)-2H-pyrazolo[3,4-e][1,3]benzothiazole;3,8-di(propan-2-yl)-2H-pyrazolo[3,4-f]quinoline;3,7-di(propan-2-yl)-2H-pyrazolo[4,3-g][1,3]benzothiazole;3,7-di(propan-2-yl)-2H-pyrazolo[4,3-h]quinoline;3,8-di(propan-2-yl)-2H-pyrazolo[4,3-h]quinoline;3,7-di(propan-2-yl)-2H-thieno[2,3-g]indazole;3,7-di(propan-2-yl)-2H-thieno[3,2-g]indazole?
The InChIKey is FPIVKHMBADDRJW-UHFFFAOYSA-N. The full InChI is InChI=1S/4C16H19N3.2C15H18N2S.2C14H17N3S/c1-9(2)13-8-6-11-5-7-12-14(10(3)4)18-19-16(12)15(11)17-13;1-9(2)11-7-13-14(17-8-11)6-5-12-15(10(3)4)18-19-16(12)13;1-9(2)12-7-11-5-6-13-14(10(3)4)18-19-16(13)15(11)17-8-12;1-9(2)11-5-6-12-14(7-11)17-8-13-15(10(3)4)18-19-16(12)13;1-8(2)13-7-11-12(18-13)6-5-10-14(9(3)4)16-17-15(10)11;1-8(2)12-7-10-5-6-11-13(9(3)4)16-17-14(11)15(10)18-12;1-7(2)11-9-5-6-10-13(12(9)17-16-11)15-14(18-10)8(3)4;1-7(2)11-9-5-6-10-13(12(9)17-16-11)18-14(15-10)8(3)4/h4*5-10H,1-4H3,(H,18,19);2*5-9H,1-4H3,(H,16,17);2*5-8H,1-4H3,(H,16,17).
What are the key properties of 3,7-di(propan-2-yl)-2H-pyrazolo[4,3-c]quinoline;3,7-di(propan-2-yl)-2H-pyrazolo[3,4-e][1,3]benzothiazole;3,8-di(propan-2-yl)-2H-pyrazolo[3,4-f]quinoline;3,7-di(propan-2-yl)-2H-pyrazolo[4,3-g][1,3]benzothiazole;3,7-di(propan-2-yl)-2H-pyrazolo[4,3-h]quinoline;3,8-di(propan-2-yl)-2H-pyrazolo[4,3-h]quinoline;3,7-di(propan-2-yl)-2H-thieno[2,3-g]indazole;3,7-di(propan-2-yl)-2H-thieno[3,2-g]indazole?
3,7-di(propan-2-yl)-2H-pyrazolo[4,3-c]quinoline;3,7-di(propan-2-yl)-2H-pyrazolo[3,4-e][1,3]benzothiazole;3,8-di(propan-2-yl)-2H-pyrazolo[3,4-f]quinoline;3,7-di(propan-2-yl)-2H-pyrazolo[4,3-g][1,3]benzothiazole;3,7-di(propan-2-yl)-2H-pyrazolo[4,3-h]quinoline;3,8-di(propan-2-yl)-2H-pyrazolo[4,3-h]quinoline;3,7-di(propan-2-yl)-2H-thieno[2,3-g]indazole;3,7-di(propan-2-yl)-2H-thieno[3,2-g]indazole has a molecular weight of 2048.93 g/mol, XLogP of 36.32, 16 rotatable bonds, 8 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-di(propan-2-yl)-2H-pyrazolo[4,3-c]quinoline;3,7-di(propan-2-yl)-2H-pyrazolo[3,4-e][1,3]benzothiazole;3,8-di(propan-2-yl)-2H-pyrazolo[3,4-f]quinoline;3,7-di(propan-2-yl)-2H-pyrazolo[4,3-g][1,3]benzothiazole;3,7-di(propan-2-yl)-2H-pyrazolo[4,3-h]quinoline;3,8-di(propan-2-yl)-2H-pyrazolo[4,3-h]quinoline;3,7-di(propan-2-yl)-2H-thieno[2,3-g]indazole;3,7-di(propan-2-yl)-2H-thieno[3,2-g]indazole is sourced from PubChem (CID 158101800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).