1-[4-(4-isocyanophenoxy)cyclohexyl]-N-methyl-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine;2-[4-[6-(methylamino)-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxybenzonitrile;N-methyl-1-[4-(2-methylphenoxy)cyclohexyl]-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine;N-methyl-1-[4-(3-methylphenoxy)cyclohexyl]-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine;N-methyl-1-[4-(4-methylphenoxy)cyclohexyl]-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine

C120H134N32O5 — CID 163800461

About 1-[4-(4-isocyanophenoxy)cyclohexyl]-N-methyl-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine;2-[4-[6-(methylamino)-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxybenzonitrile;N-methyl-1-[4-(2-methylphenoxy)cyclohexyl]-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine;N-methyl-1-[4-(3-methylphenoxy)cyclohexyl]-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine;N-methyl-1-[4-(4-methylphenoxy)cyclohexyl]-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine

1-[4-(4-isocyanophenoxy)cyclohexyl]-N-methyl-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine;2-[4-[6-(methylamino)-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxybenzonitrile;N-methyl-1-[4-(2-methylphenoxy)cyclohexyl]-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine;N-methyl-1-[4-(3-methylphenoxy)cyclohexyl]-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine;N-methyl-1-[4-(4-methylphenoxy)cyclohexyl]-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine (PubChem CID 163800461) has the molecular formula C120H134N32O5 and a molecular weight of 2104.61 g/mol. Its IUPAC name is 1-[4-(4-isocyanophenoxy)cyclohexyl]-N-methyl-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine;2-[4-[6-(methylamino)-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxybenzonitrile;N-methyl-1-[4-(2-methylphenoxy)cyclohexyl]-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine;N-methyl-1-[4-(3-methylphenoxy)cyclohexyl]-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine;N-methyl-1-[4-(4-methylphenoxy)cyclohexyl]-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine.

Molecular Properties

• Compound Name: 1-[4-(4-isocyanophenoxy)cyclohexyl]-N-methyl-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine;2-[4-[6-(methylamino)-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxybenzonitrile;N-methyl-1-[4-(2-methylphenoxy)cyclohexyl]-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine;N-methyl-1-[4-(3-methylphenoxy)cyclohexyl]-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine;N-methyl-1-[4-(4-methylphenoxy)cyclohexyl]-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine
• PubChem CID: 163800461
• Molecular Formula: C120H134N32O5
• Molecular Weight: 2104.61 g/mol
• Exact Mass: 2103.12
• IUPAC Name: 1-[4-(4-isocyanophenoxy)cyclohexyl]-N-methyl-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine;2-[4-[6-(methylamino)-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxybenzonitrile;N-methyl-1-[4-(2-methylphenoxy)cyclohexyl]-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine;N-methyl-1-[4-(3-methylphenoxy)cyclohexyl]-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine;N-methyl-1-[4-(4-methylphenoxy)cyclohexyl]-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine
• SMILES: CNc1cc2c(cn1)c(-c1cnn(C)c1)nn2C1CCC(Oc2ccc(C)cc2)CC1.CNc1cc2c(cn1)c(-c1cnn(C)c1)nn2C1CCC(Oc2cccc(C)c2)CC1.CNc1cc2c(cn1)c(-c1cnn(C)c1)nn2C1CCC(Oc2ccccc2C#N)CC1.CNc1cc2c(cn1)c(-c1cnn(C)c1)nn2C1CCC(Oc2ccccc2C)CC1.[C-]#[N+]c1ccc(OC2CCC(n3nc(-c4cnn(C)c4)c4cnc(NC)cc43)CC2)cc1
• InChI: InChI=1S/2C24H25N7O.3C24H28N6O/c1-25-17-4-8-19(9-5-17)32-20-10-6-18(7-11-20)31-22-12-23(26-2)27-14-21(22)24(29-31)16-13-28-30(3)15-16;1-26-23-11-21-20(14-27-23)24(17-13-28-30(2)15-17)29-31(21)18-7-9-19(10-8-18)32-22-6-4-3-5-16(22)12-25;1-16-4-8-19(9-5-16)31-20-10-6-18(7-11-20)30-22-12-23(25-2)26-14-21(22)24(28-30)17-13-27-29(3)15-17;1-16-5-4-6-20(11-16)31-19-9-7-18(8-10-19)30-22-12-23(25-2)26-14-21(22)24(28-30)17-13-27-29(3)15-17;1-16-6-4-5-7-22(16)31-19-10-8-18(9-11-19)30-21-12-23(25-2)26-14-20(21)24(28-30)17-13-27-29(3)15-17/h4-5,8-9,12-15,18,20H,6-7,10-11H2,2-3H3,(H,26,27);3-6,11,13-15,18-19H,7-10H2,1-2H3,(H,26,27);4-5,8-9,12-15,18,20H,6-7,10-11H2,1-3H3,(H,25,26);4-6,11-15,18-19H,7-10H2,1-3H3,(H,25,26);4-7,12-15,18-19H,8-11H2,1-3H3,(H,25,26)
• InChIKey: NEMQGDGNMFXMBG-UHFFFAOYSA-N
• XLogP: 23.53
• TPSA: 377.10 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 36
• Rotatable Bonds: 25
• Heavy Atoms: 157
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2104.61
LogP ≤ 5	23.53
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	36

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-isocyanophenoxy)cyclohexyl]-N-methyl-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine;2-[4-[6-(methylamino)-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxybenzonitrile;N-methyl-1-[4-(2-methylphenoxy)cyclohexyl]-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine;N-methyl-1-[4-(3-methylphenoxy)cyclohexyl]-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine;N-methyl-1-[4-(4-methylphenoxy)cyclohexyl]-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine?

The IUPAC name of 1-[4-(4-isocyanophenoxy)cyclohexyl]-N-methyl-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine;2-[4-[6-(methylamino)-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxybenzonitrile;N-methyl-1-[4-(2-methylphenoxy)cyclohexyl]-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine;N-methyl-1-[4-(3-methylphenoxy)cyclohexyl]-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine;N-methyl-1-[4-(4-methylphenoxy)cyclohexyl]-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine (CID 163800461) is 1-[4-(4-isocyanophenoxy)cyclohexyl]-N-methyl-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine;2-[4-[6-(methylamino)-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxybenzonitrile;N-methyl-1-[4-(2-methylphenoxy)cyclohexyl]-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine;N-methyl-1-[4-(3-methylphenoxy)cyclohexyl]-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine;N-methyl-1-[4-(4-methylphenoxy)cyclohexyl]-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine.

What is the SMILES notation for 1-[4-(4-isocyanophenoxy)cyclohexyl]-N-methyl-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine;2-[4-[6-(methylamino)-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxybenzonitrile;N-methyl-1-[4-(2-methylphenoxy)cyclohexyl]-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine;N-methyl-1-[4-(3-methylphenoxy)cyclohexyl]-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine;N-methyl-1-[4-(4-methylphenoxy)cyclohexyl]-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine?

The canonical SMILES for 1-[4-(4-isocyanophenoxy)cyclohexyl]-N-methyl-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine;2-[4-[6-(methylamino)-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxybenzonitrile;N-methyl-1-[4-(2-methylphenoxy)cyclohexyl]-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine;N-methyl-1-[4-(3-methylphenoxy)cyclohexyl]-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine;N-methyl-1-[4-(4-methylphenoxy)cyclohexyl]-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine is CNc1cc2c(cn1)c(-c1cnn(C)c1)nn2C1CCC(Oc2ccc(C)cc2)CC1.CNc1cc2c(cn1)c(-c1cnn(C)c1)nn2C1CCC(Oc2cccc(C)c2)CC1.CNc1cc2c(cn1)c(-c1cnn(C)c1)nn2C1CCC(Oc2ccccc2C#N)CC1.CNc1cc2c(cn1)c(-c1cnn(C)c1)nn2C1CCC(Oc2ccccc2C)CC1.[C-]#[N+]c1ccc(OC2CCC(n3nc(-c4cnn(C)c4)c4cnc(NC)cc43)CC2)cc1.

What is the InChIKey of 1-[4-(4-isocyanophenoxy)cyclohexyl]-N-methyl-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine;2-[4-[6-(methylamino)-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxybenzonitrile;N-methyl-1-[4-(2-methylphenoxy)cyclohexyl]-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine;N-methyl-1-[4-(3-methylphenoxy)cyclohexyl]-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine;N-methyl-1-[4-(4-methylphenoxy)cyclohexyl]-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine?

The InChIKey is NEMQGDGNMFXMBG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C24H25N7O.3C24H28N6O/c1-25-17-4-8-19(9-5-17)32-20-10-6-18(7-11-20)31-22-12-23(26-2)27-14-21(22)24(29-31)16-13-28-30(3)15-16;1-26-23-11-21-20(14-27-23)24(17-13-28-30(2)15-17)29-31(21)18-7-9-19(10-8-18)32-22-6-4-3-5-16(22)12-25;1-16-4-8-19(9-5-16)31-20-10-6-18(7-11-20)30-22-12-23(25-2)26-14-21(22)24(28-30)17-13-27-29(3)15-17;1-16-5-4-6-20(11-16)31-19-9-7-18(8-10-19)30-22-12-23(25-2)26-14-21(22)24(28-30)17-13-27-29(3)15-17;1-16-6-4-5-7-22(16)31-19-10-8-18(9-11-19)30-21-12-23(25-2)26-14-20(21)24(28-30)17-13-27-29(3)15-17/h4-5,8-9,12-15,18,20H,6-7,10-11H2,2-3H3,(H,26,27);3-6,11,13-15,18-19H,7-10H2,1-2H3,(H,26,27);4-5,8-9,12-15,18,20H,6-7,10-11H2,1-3H3,(H,25,26);4-6,11-15,18-19H,7-10H2,1-3H3,(H,25,26);4-7,12-15,18-19H,8-11H2,1-3H3,(H,25,26).

What are the key properties of 1-[4-(4-isocyanophenoxy)cyclohexyl]-N-methyl-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine;2-[4-[6-(methylamino)-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxybenzonitrile;N-methyl-1-[4-(2-methylphenoxy)cyclohexyl]-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine;N-methyl-1-[4-(3-methylphenoxy)cyclohexyl]-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine;N-methyl-1-[4-(4-methylphenoxy)cyclohexyl]-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine?

1-[4-(4-isocyanophenoxy)cyclohexyl]-N-methyl-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine;2-[4-[6-(methylamino)-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxybenzonitrile;N-methyl-1-[4-(2-methylphenoxy)cyclohexyl]-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine;N-methyl-1-[4-(3-methylphenoxy)cyclohexyl]-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine;N-methyl-1-[4-(4-methylphenoxy)cyclohexyl]-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine has a molecular weight of 2104.61 g/mol, XLogP of 23.53, 25 rotatable bonds, 5 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-(4-isocyanophenoxy)cyclohexyl]-N-methyl-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine;2-[4-[6-(methylamino)-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxybenzonitrile;N-methyl-1-[4-(2-methylphenoxy)cyclohexyl]-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine;N-methyl-1-[4-(3-methylphenoxy)cyclohexyl]-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine;N-methyl-1-[4-(4-methylphenoxy)cyclohexyl]-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine is sourced from PubChem (CID 163800461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).