N-[6-(2-fluoroethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-yl]-9-(4-methylcyclohexyl)pyrimido[4,5-b]indol-2-amine;9-(4-methylcyclohexyl)-N-[6-(2-methylsulfonylethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-yl]pyrimido[4,5-b]indol-2-amine;2-[2-[[9-(4-methylcyclohexyl)pyrimido[4,5-b]indol-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2-oxoacetic acid;9-(4-methylcyclohexyl)-N-[6-(3,3,3-trifluoropropyl)-7,8-dihydro-5H-1,6-naphthyridin-2-yl]pyrimido[4,5-b]indol-2-amine

C110H124F4N24O5S — CID 159793508

About N-[6-(2-fluoroethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-yl]-9-(4-methylcyclohexyl)pyrimido[4,5-b]indol-2-amine;9-(4-methylcyclohexyl)-N-[6-(2-methylsulfonylethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-yl]pyrimido[4,5-b]indol-2-amine;2-[2-[[9-(4-methylcyclohexyl)pyrimido[4,5-b]indol-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2-oxoacetic acid;9-(4-methylcyclohexyl)-N-[6-(3,3,3-trifluoropropyl)-7,8-dihydro-5H-1,6-naphthyridin-2-yl]pyrimido[4,5-b]indol-2-amine

N-[6-(2-fluoroethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-yl]-9-(4-methylcyclohexyl)pyrimido[4,5-b]indol-2-amine;9-(4-methylcyclohexyl)-N-[6-(2-methylsulfonylethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-yl]pyrimido[4,5-b]indol-2-amine;2-[2-[[9-(4-methylcyclohexyl)pyrimido[4,5-b]indol-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2-oxoacetic acid;9-(4-methylcyclohexyl)-N-[6-(3,3,3-trifluoropropyl)-7,8-dihydro-5H-1,6-naphthyridin-2-yl]pyrimido[4,5-b]indol-2-amine (PubChem CID 159793508) has the molecular formula C110H124F4N24O5S and a molecular weight of 1970.42 g/mol. Its IUPAC name is N-[6-(2-fluoroethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-yl]-9-(4-methylcyclohexyl)pyrimido[4,5-b]indol-2-amine;9-(4-methylcyclohexyl)-N-[6-(2-methylsulfonylethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-yl]pyrimido[4,5-b]indol-2-amine;2-[2-[[9-(4-methylcyclohexyl)pyrimido[4,5-b]indol-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2-oxoacetic acid;9-(4-methylcyclohexyl)-N-[6-(3,3,3-trifluoropropyl)-7,8-dihydro-5H-1,6-naphthyridin-2-yl]pyrimido[4,5-b]indol-2-amine.

Molecular Properties

• Compound Name: N-[6-(2-fluoroethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-yl]-9-(4-methylcyclohexyl)pyrimido[4,5-b]indol-2-amine;9-(4-methylcyclohexyl)-N-[6-(2-methylsulfonylethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-yl]pyrimido[4,5-b]indol-2-amine;2-[2-[[9-(4-methylcyclohexyl)pyrimido[4,5-b]indol-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2-oxoacetic acid;9-(4-methylcyclohexyl)-N-[6-(3,3,3-trifluoropropyl)-7,8-dihydro-5H-1,6-naphthyridin-2-yl]pyrimido[4,5-b]indol-2-amine
• PubChem CID: 159793508
• Molecular Formula: C110H124F4N24O5S
• Molecular Weight: 1970.42 g/mol
• Exact Mass: 1968.98
• IUPAC Name: N-[6-(2-fluoroethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-yl]-9-(4-methylcyclohexyl)pyrimido[4,5-b]indol-2-amine;9-(4-methylcyclohexyl)-N-[6-(2-methylsulfonylethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-yl]pyrimido[4,5-b]indol-2-amine;2-[2-[[9-(4-methylcyclohexyl)pyrimido[4,5-b]indol-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2-oxoacetic acid;9-(4-methylcyclohexyl)-N-[6-(3,3,3-trifluoropropyl)-7,8-dihydro-5H-1,6-naphthyridin-2-yl]pyrimido[4,5-b]indol-2-amine
• SMILES: CC1CCC(n2c3ccccc3c3cnc(Nc4ccc5c(n4)CCN(C(=O)C(=O)O)C5)nc32)CC1.CC1CCC(n2c3ccccc3c3cnc(Nc4ccc5c(n4)CCN(CCC(F)(F)F)C5)nc32)CC1.CC1CCC(n2c3ccccc3c3cnc(Nc4ccc5c(n4)CCN(CCF)C5)nc32)CC1.CC1CCC(n2c3ccccc3c3cnc(Nc4ccc5c(n4)CCN(CCS(C)(=O)=O)C5)nc32)CC1
• InChI: InChI=1S/C28H31F3N6.C28H34N6O2S.C27H31FN6.C27H28N6O3/c1-18-6-9-20(10-7-18)37-24-5-3-2-4-21(24)22-16-32-27(35-26(22)37)34-25-11-8-19-17-36(14-12-23(19)33-25)15-13-28(29,30)31;1-19-7-10-21(11-8-19)34-25-6-4-3-5-22(25)23-17-29-28(32-27(23)34)31-26-12-9-20-18-33(14-13-24(20)30-26)15-16-37(2,35)36;1-18-6-9-20(10-7-18)34-24-5-3-2-4-21(24)22-16-29-27(32-26(22)34)31-25-11-8-19-17-33(15-13-28)14-12-23(19)30-25;1-16-6-9-18(10-7-16)33-22-5-3-2-4-19(22)20-14-28-27(31-24(20)33)30-23-11-8-17-15-32(25(34)26(35)36)13-12-21(17)29-23/h2-5,8,11,16,18,20H,6-7,9-10,12-15,17H2,1H3,(H,32,33,34,35);3-6,9,12,17,19,21H,7-8,10-11,13-16,18H2,1-2H3,(H,29,30,31,32);2-5,8,11,16,18,20H,6-7,9-10,12-15,17H2,1H3,(H,29,30,31,32);2-5,8,11,14,16,18H,6-7,9-10,12-13,15H2,1H3,(H,35,36)(H,28,29,30,31)
• InChIKey: NIWGXOFAZWCWDY-UHFFFAOYSA-N
• XLogP: 21.91
• TPSA: 323.99 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 27
• Rotatable Bonds: 19
• Heavy Atoms: 144
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1970.42
LogP ≤ 5	21.91
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[6-(2-fluoroethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-yl]-9-(4-methylcyclohexyl)pyrimido[4,5-b]indol-2-amine;9-(4-methylcyclohexyl)-N-[6-(2-methylsulfonylethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-yl]pyrimido[4,5-b]indol-2-amine;2-[2-[[9-(4-methylcyclohexyl)pyrimido[4,5-b]indol-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2-oxoacetic acid;9-(4-methylcyclohexyl)-N-[6-(3,3,3-trifluoropropyl)-7,8-dihydro-5H-1,6-naphthyridin-2-yl]pyrimido[4,5-b]indol-2-amine?

The IUPAC name of N-[6-(2-fluoroethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-yl]-9-(4-methylcyclohexyl)pyrimido[4,5-b]indol-2-amine;9-(4-methylcyclohexyl)-N-[6-(2-methylsulfonylethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-yl]pyrimido[4,5-b]indol-2-amine;2-[2-[[9-(4-methylcyclohexyl)pyrimido[4,5-b]indol-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2-oxoacetic acid;9-(4-methylcyclohexyl)-N-[6-(3,3,3-trifluoropropyl)-7,8-dihydro-5H-1,6-naphthyridin-2-yl]pyrimido[4,5-b]indol-2-amine (CID 159793508) is N-[6-(2-fluoroethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-yl]-9-(4-methylcyclohexyl)pyrimido[4,5-b]indol-2-amine;9-(4-methylcyclohexyl)-N-[6-(2-methylsulfonylethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-yl]pyrimido[4,5-b]indol-2-amine;2-[2-[[9-(4-methylcyclohexyl)pyrimido[4,5-b]indol-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2-oxoacetic acid;9-(4-methylcyclohexyl)-N-[6-(3,3,3-trifluoropropyl)-7,8-dihydro-5H-1,6-naphthyridin-2-yl]pyrimido[4,5-b]indol-2-amine.

What is the SMILES notation for N-[6-(2-fluoroethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-yl]-9-(4-methylcyclohexyl)pyrimido[4,5-b]indol-2-amine;9-(4-methylcyclohexyl)-N-[6-(2-methylsulfonylethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-yl]pyrimido[4,5-b]indol-2-amine;2-[2-[[9-(4-methylcyclohexyl)pyrimido[4,5-b]indol-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2-oxoacetic acid;9-(4-methylcyclohexyl)-N-[6-(3,3,3-trifluoropropyl)-7,8-dihydro-5H-1,6-naphthyridin-2-yl]pyrimido[4,5-b]indol-2-amine?

The canonical SMILES for N-[6-(2-fluoroethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-yl]-9-(4-methylcyclohexyl)pyrimido[4,5-b]indol-2-amine;9-(4-methylcyclohexyl)-N-[6-(2-methylsulfonylethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-yl]pyrimido[4,5-b]indol-2-amine;2-[2-[[9-(4-methylcyclohexyl)pyrimido[4,5-b]indol-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2-oxoacetic acid;9-(4-methylcyclohexyl)-N-[6-(3,3,3-trifluoropropyl)-7,8-dihydro-5H-1,6-naphthyridin-2-yl]pyrimido[4,5-b]indol-2-amine is CC1CCC(n2c3ccccc3c3cnc(Nc4ccc5c(n4)CCN(C(=O)C(=O)O)C5)nc32)CC1.CC1CCC(n2c3ccccc3c3cnc(Nc4ccc5c(n4)CCN(CCC(F)(F)F)C5)nc32)CC1.CC1CCC(n2c3ccccc3c3cnc(Nc4ccc5c(n4)CCN(CCF)C5)nc32)CC1.CC1CCC(n2c3ccccc3c3cnc(Nc4ccc5c(n4)CCN(CCS(C)(=O)=O)C5)nc32)CC1.

What is the InChIKey of N-[6-(2-fluoroethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-yl]-9-(4-methylcyclohexyl)pyrimido[4,5-b]indol-2-amine;9-(4-methylcyclohexyl)-N-[6-(2-methylsulfonylethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-yl]pyrimido[4,5-b]indol-2-amine;2-[2-[[9-(4-methylcyclohexyl)pyrimido[4,5-b]indol-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2-oxoacetic acid;9-(4-methylcyclohexyl)-N-[6-(3,3,3-trifluoropropyl)-7,8-dihydro-5H-1,6-naphthyridin-2-yl]pyrimido[4,5-b]indol-2-amine?

The InChIKey is NIWGXOFAZWCWDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31F3N6.C28H34N6O2S.C27H31FN6.C27H28N6O3/c1-18-6-9-20(10-7-18)37-24-5-3-2-4-21(24)22-16-32-27(35-26(22)37)34-25-11-8-19-17-36(14-12-23(19)33-25)15-13-28(29,30)31;1-19-7-10-21(11-8-19)34-25-6-4-3-5-22(25)23-17-29-28(32-27(23)34)31-26-12-9-20-18-33(14-13-24(20)30-26)15-16-37(2,35)36;1-18-6-9-20(10-7-18)34-24-5-3-2-4-21(24)22-16-29-27(32-26(22)34)31-25-11-8-19-17-33(15-13-28)14-12-23(19)30-25;1-16-6-9-18(10-7-16)33-22-5-3-2-4-19(22)20-14-28-27(31-24(20)33)30-23-11-8-17-15-32(25(34)26(35)36)13-12-21(17)29-23/h2-5,8,11,16,18,20H,6-7,9-10,12-15,17H2,1H3,(H,32,33,34,35);3-6,9,12,17,19,21H,7-8,10-11,13-16,18H2,1-2H3,(H,29,30,31,32);2-5,8,11,16,18,20H,6-7,9-10,12-15,17H2,1H3,(H,29,30,31,32);2-5,8,11,14,16,18H,6-7,9-10,12-13,15H2,1H3,(H,35,36)(H,28,29,30,31).

What are the key properties of N-[6-(2-fluoroethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-yl]-9-(4-methylcyclohexyl)pyrimido[4,5-b]indol-2-amine;9-(4-methylcyclohexyl)-N-[6-(2-methylsulfonylethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-yl]pyrimido[4,5-b]indol-2-amine;2-[2-[[9-(4-methylcyclohexyl)pyrimido[4,5-b]indol-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2-oxoacetic acid;9-(4-methylcyclohexyl)-N-[6-(3,3,3-trifluoropropyl)-7,8-dihydro-5H-1,6-naphthyridin-2-yl]pyrimido[4,5-b]indol-2-amine?

N-[6-(2-fluoroethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-yl]-9-(4-methylcyclohexyl)pyrimido[4,5-b]indol-2-amine;9-(4-methylcyclohexyl)-N-[6-(2-methylsulfonylethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-yl]pyrimido[4,5-b]indol-2-amine;2-[2-[[9-(4-methylcyclohexyl)pyrimido[4,5-b]indol-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2-oxoacetic acid;9-(4-methylcyclohexyl)-N-[6-(3,3,3-trifluoropropyl)-7,8-dihydro-5H-1,6-naphthyridin-2-yl]pyrimido[4,5-b]indol-2-amine has a molecular weight of 1970.42 g/mol, XLogP of 21.91, 19 rotatable bonds, 5 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-(2-fluoroethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-yl]-9-(4-methylcyclohexyl)pyrimido[4,5-b]indol-2-amine;9-(4-methylcyclohexyl)-N-[6-(2-methylsulfonylethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-yl]pyrimido[4,5-b]indol-2-amine;2-[2-[[9-(4-methylcyclohexyl)pyrimido[4,5-b]indol-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2-oxoacetic acid;9-(4-methylcyclohexyl)-N-[6-(3,3,3-trifluoropropyl)-7,8-dihydro-5H-1,6-naphthyridin-2-yl]pyrimido[4,5-b]indol-2-amine is sourced from PubChem (CID 159793508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).