5-chloro-3-N-[[5-chloro-1-(3-methylsulfonylpropyl)indol-2-yl]methyl]-4-N-cyclopropylpyridine-3,4-diamine;7-chloro-3-[[5-chloro-1-(4,4,4-trifluorobutyl)indol-2-yl]methyl]-1-(2,2,2-trifluoroethyl)imidazo[4,5-c]pyridin-2-one;propane

C45H48Cl4F6N8O3S — CID 145014772

About 5-chloro-3-N-[[5-chloro-1-(3-methylsulfonylpropyl)indol-2-yl]methyl]-4-N-cyclopropylpyridine-3,4-diamine;7-chloro-3-[[5-chloro-1-(4,4,4-trifluorobutyl)indol-2-yl]methyl]-1-(2,2,2-trifluoroethyl)imidazo[4,5-c]pyridin-2-one;propane

5-chloro-3-N-[[5-chloro-1-(3-methylsulfonylpropyl)indol-2-yl]methyl]-4-N-cyclopropylpyridine-3,4-diamine;7-chloro-3-[[5-chloro-1-(4,4,4-trifluorobutyl)indol-2-yl]methyl]-1-(2,2,2-trifluoroethyl)imidazo[4,5-c]pyridin-2-one;propane (PubChem CID 145014772) has the molecular formula C45H48Cl4F6N8O3S and a molecular weight of 1036.80 g/mol. Its IUPAC name is 5-chloro-3-N-[[5-chloro-1-(3-methylsulfonylpropyl)indol-2-yl]methyl]-4-N-cyclopropylpyridine-3,4-diamine;7-chloro-3-[[5-chloro-1-(4,4,4-trifluorobutyl)indol-2-yl]methyl]-1-(2,2,2-trifluoroethyl)imidazo[4,5-c]pyridin-2-one;propane.

Molecular Properties

• Compound Name: 5-chloro-3-N-[[5-chloro-1-(3-methylsulfonylpropyl)indol-2-yl]methyl]-4-N-cyclopropylpyridine-3,4-diamine;7-chloro-3-[[5-chloro-1-(4,4,4-trifluorobutyl)indol-2-yl]methyl]-1-(2,2,2-trifluoroethyl)imidazo[4,5-c]pyridin-2-one;propane
• PubChem CID: 145014772
• Molecular Formula: C45H48Cl4F6N8O3S
• Molecular Weight: 1036.80 g/mol
• Exact Mass: 1034.22
• IUPAC Name: 5-chloro-3-N-[[5-chloro-1-(3-methylsulfonylpropyl)indol-2-yl]methyl]-4-N-cyclopropylpyridine-3,4-diamine;7-chloro-3-[[5-chloro-1-(4,4,4-trifluorobutyl)indol-2-yl]methyl]-1-(2,2,2-trifluoroethyl)imidazo[4,5-c]pyridin-2-one;propane
• SMILES: CCC.CS(=O)(=O)CCCn1c(CNc2cncc(Cl)c2NC2CC2)cc2cc(Cl)ccc21.O=c1n(Cc2cc3cc(Cl)ccc3n2CCCC(F)(F)F)c2cncc(Cl)c2n1CC(F)(F)F
• InChI: InChI=1S/C21H16Cl2F6N4O.C21H24Cl2N4O2S.C3H8/c22-13-2-3-16-12(6-13)7-14(31(16)5-1-4-20(24,25)26)10-32-17-9-30-8-15(23)18(17)33(19(32)34)11-21(27,28)29;1-30(28,29)8-2-7-27-17(10-14-9-15(22)3-6-20(14)27)11-25-19-13-24-12-18(23)21(19)26-16-4-5-16;1-3-2/h2-3,6-9H,1,4-5,10-11H2;3,6,9-10,12-13,16,25H,2,4-5,7-8,11H2,1H3,(H,24,26);3H2,1-2H3
• InChIKey: ZAOOVHBXCHDBNI-UHFFFAOYSA-N
• XLogP: 12.79
• TPSA: 120.77 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 15
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1036.80
LogP ≤ 5	12.79
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-N-[[5-chloro-1-(3-methylsulfonylpropyl)indol-2-yl]methyl]-4-N-cyclopropylpyridine-3,4-diamine;7-chloro-3-[[5-chloro-1-(4,4,4-trifluorobutyl)indol-2-yl]methyl]-1-(2,2,2-trifluoroethyl)imidazo[4,5-c]pyridin-2-one;propane?

The IUPAC name of 5-chloro-3-N-[[5-chloro-1-(3-methylsulfonylpropyl)indol-2-yl]methyl]-4-N-cyclopropylpyridine-3,4-diamine;7-chloro-3-[[5-chloro-1-(4,4,4-trifluorobutyl)indol-2-yl]methyl]-1-(2,2,2-trifluoroethyl)imidazo[4,5-c]pyridin-2-one;propane (CID 145014772) is 5-chloro-3-N-[[5-chloro-1-(3-methylsulfonylpropyl)indol-2-yl]methyl]-4-N-cyclopropylpyridine-3,4-diamine;7-chloro-3-[[5-chloro-1-(4,4,4-trifluorobutyl)indol-2-yl]methyl]-1-(2,2,2-trifluoroethyl)imidazo[4,5-c]pyridin-2-one;propane.

What is the SMILES notation for 5-chloro-3-N-[[5-chloro-1-(3-methylsulfonylpropyl)indol-2-yl]methyl]-4-N-cyclopropylpyridine-3,4-diamine;7-chloro-3-[[5-chloro-1-(4,4,4-trifluorobutyl)indol-2-yl]methyl]-1-(2,2,2-trifluoroethyl)imidazo[4,5-c]pyridin-2-one;propane?

The canonical SMILES for 5-chloro-3-N-[[5-chloro-1-(3-methylsulfonylpropyl)indol-2-yl]methyl]-4-N-cyclopropylpyridine-3,4-diamine;7-chloro-3-[[5-chloro-1-(4,4,4-trifluorobutyl)indol-2-yl]methyl]-1-(2,2,2-trifluoroethyl)imidazo[4,5-c]pyridin-2-one;propane is CCC.CS(=O)(=O)CCCn1c(CNc2cncc(Cl)c2NC2CC2)cc2cc(Cl)ccc21.O=c1n(Cc2cc3cc(Cl)ccc3n2CCCC(F)(F)F)c2cncc(Cl)c2n1CC(F)(F)F.

What is the InChIKey of 5-chloro-3-N-[[5-chloro-1-(3-methylsulfonylpropyl)indol-2-yl]methyl]-4-N-cyclopropylpyridine-3,4-diamine;7-chloro-3-[[5-chloro-1-(4,4,4-trifluorobutyl)indol-2-yl]methyl]-1-(2,2,2-trifluoroethyl)imidazo[4,5-c]pyridin-2-one;propane?

The InChIKey is ZAOOVHBXCHDBNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16Cl2F6N4O.C21H24Cl2N4O2S.C3H8/c22-13-2-3-16-12(6-13)7-14(31(16)5-1-4-20(24,25)26)10-32-17-9-30-8-15(23)18(17)33(19(32)34)11-21(27,28)29;1-30(28,29)8-2-7-27-17(10-14-9-15(22)3-6-20(14)27)11-25-19-13-24-12-18(23)21(19)26-16-4-5-16;1-3-2/h2-3,6-9H,1,4-5,10-11H2;3,6,9-10,12-13,16,25H,2,4-5,7-8,11H2,1H3,(H,24,26);3H2,1-2H3.

What are the key properties of 5-chloro-3-N-[[5-chloro-1-(3-methylsulfonylpropyl)indol-2-yl]methyl]-4-N-cyclopropylpyridine-3,4-diamine;7-chloro-3-[[5-chloro-1-(4,4,4-trifluorobutyl)indol-2-yl]methyl]-1-(2,2,2-trifluoroethyl)imidazo[4,5-c]pyridin-2-one;propane?

5-chloro-3-N-[[5-chloro-1-(3-methylsulfonylpropyl)indol-2-yl]methyl]-4-N-cyclopropylpyridine-3,4-diamine;7-chloro-3-[[5-chloro-1-(4,4,4-trifluorobutyl)indol-2-yl]methyl]-1-(2,2,2-trifluoroethyl)imidazo[4,5-c]pyridin-2-one;propane has a molecular weight of 1036.80 g/mol, XLogP of 12.79, 15 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-3-N-[[5-chloro-1-(3-methylsulfonylpropyl)indol-2-yl]methyl]-4-N-cyclopropylpyridine-3,4-diamine;7-chloro-3-[[5-chloro-1-(4,4,4-trifluorobutyl)indol-2-yl]methyl]-1-(2,2,2-trifluoroethyl)imidazo[4,5-c]pyridin-2-one;propane is sourced from PubChem (CID 145014772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).