N-[3-[(2,2-difluorocyclopropyl)methoxy]-1-methylindol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[3-(1,1-dioxothian-4-yl)oxy-1-methylindol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[3-(3-methoxypropoxy)-1-methylindol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[1-methyl-3-(oxolan-3-yloxy)indol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine

C77H78F2N20O8S — CID 167614429

About N-[3-[(2,2-difluorocyclopropyl)methoxy]-1-methylindol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[3-(1,1-dioxothian-4-yl)oxy-1-methylindol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[3-(3-methoxypropoxy)-1-methylindol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[1-methyl-3-(oxolan-3-yloxy)indol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine

N-[3-[(2,2-difluorocyclopropyl)methoxy]-1-methylindol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[3-(1,1-dioxothian-4-yl)oxy-1-methylindol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[3-(3-methoxypropoxy)-1-methylindol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[1-methyl-3-(oxolan-3-yloxy)indol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine (PubChem CID 167614429) has the molecular formula C77H78F2N20O8S and a molecular weight of 1481.67 g/mol. Its IUPAC name is N-[3-[(2,2-difluorocyclopropyl)methoxy]-1-methylindol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[3-(1,1-dioxothian-4-yl)oxy-1-methylindol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[3-(3-methoxypropoxy)-1-methylindol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[1-methyl-3-(oxolan-3-yloxy)indol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine.

Molecular Properties

• Compound Name: N-[3-[(2,2-difluorocyclopropyl)methoxy]-1-methylindol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[3-(1,1-dioxothian-4-yl)oxy-1-methylindol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[3-(3-methoxypropoxy)-1-methylindol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[1-methyl-3-(oxolan-3-yloxy)indol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine
• PubChem CID: 167614429
• Molecular Formula: C77H78F2N20O8S
• Molecular Weight: 1481.67 g/mol
• Exact Mass: 1480.60
• IUPAC Name: N-[3-[(2,2-difluorocyclopropyl)methoxy]-1-methylindol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[3-(1,1-dioxothian-4-yl)oxy-1-methylindol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[3-(3-methoxypropoxy)-1-methylindol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[1-methyl-3-(oxolan-3-yloxy)indol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine
• SMILES: COCCCOc1cn(C)c2cc(Nc3n[nH]c4cccnc34)ccc12.Cn1cc(OC2CCOC2)c2ccc(Nc3n[nH]c4cccnc34)cc21.Cn1cc(OC2CCS(=O)(=O)CC2)c2ccc(Nc3n[nH]c4cccnc34)cc21.Cn1cc(OCC2CC2(F)F)c2ccc(Nc3n[nH]c4cccnc34)cc21
• InChI: InChI=1S/C20H21N5O3S.C19H17F2N5O.C19H19N5O2.C19H21N5O2/c1-25-12-18(28-14-6-9-29(26,27)10-7-14)15-5-4-13(11-17(15)25)22-20-19-16(23-24-20)3-2-8-21-19;1-26-9-16(27-10-11-8-19(11,20)21)13-5-4-12(7-15(13)26)23-18-17-14(24-25-18)3-2-6-22-17;1-24-10-17(26-13-6-8-25-11-13)14-5-4-12(9-16(14)24)21-19-18-15(22-23-19)3-2-7-20-18;1-24-12-17(26-10-4-9-25-2)14-7-6-13(11-16(14)24)21-19-18-15(22-23-19)5-3-8-20-18/h2-5,8,11-12,14H,6-7,9-10H2,1H3,(H2,22,23,24);2-7,9,11H,8,10H2,1H3,(H2,23,24,25);2-5,7,9-10,13H,6,8,11H2,1H3,(H2,21,22,23);3,5-8,11-12H,4,9-10H2,1-2H3,(H2,21,22,23)
• InChIKey: LNOUGEHPEBTCAF-UHFFFAOYSA-N
• XLogP: 14.35
• TPSA: 323.64 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 24
• Rotatable Bonds: 20
• Heavy Atoms: 108
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1481.67
LogP ≤ 5	14.35
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2,2-difluorocyclopropyl)methoxy]-1-methylindol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[3-(1,1-dioxothian-4-yl)oxy-1-methylindol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[3-(3-methoxypropoxy)-1-methylindol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[1-methyl-3-(oxolan-3-yloxy)indol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine?

The IUPAC name of N-[3-[(2,2-difluorocyclopropyl)methoxy]-1-methylindol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[3-(1,1-dioxothian-4-yl)oxy-1-methylindol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[3-(3-methoxypropoxy)-1-methylindol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[1-methyl-3-(oxolan-3-yloxy)indol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine (CID 167614429) is N-[3-[(2,2-difluorocyclopropyl)methoxy]-1-methylindol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[3-(1,1-dioxothian-4-yl)oxy-1-methylindol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[3-(3-methoxypropoxy)-1-methylindol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[1-methyl-3-(oxolan-3-yloxy)indol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine.

What is the SMILES notation for N-[3-[(2,2-difluorocyclopropyl)methoxy]-1-methylindol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[3-(1,1-dioxothian-4-yl)oxy-1-methylindol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[3-(3-methoxypropoxy)-1-methylindol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[1-methyl-3-(oxolan-3-yloxy)indol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine?

The canonical SMILES for N-[3-[(2,2-difluorocyclopropyl)methoxy]-1-methylindol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[3-(1,1-dioxothian-4-yl)oxy-1-methylindol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[3-(3-methoxypropoxy)-1-methylindol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[1-methyl-3-(oxolan-3-yloxy)indol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine is COCCCOc1cn(C)c2cc(Nc3n[nH]c4cccnc34)ccc12.Cn1cc(OC2CCOC2)c2ccc(Nc3n[nH]c4cccnc34)cc21.Cn1cc(OC2CCS(=O)(=O)CC2)c2ccc(Nc3n[nH]c4cccnc34)cc21.Cn1cc(OCC2CC2(F)F)c2ccc(Nc3n[nH]c4cccnc34)cc21.

What is the InChIKey of N-[3-[(2,2-difluorocyclopropyl)methoxy]-1-methylindol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[3-(1,1-dioxothian-4-yl)oxy-1-methylindol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[3-(3-methoxypropoxy)-1-methylindol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[1-methyl-3-(oxolan-3-yloxy)indol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine?

The InChIKey is LNOUGEHPEBTCAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O3S.C19H17F2N5O.C19H19N5O2.C19H21N5O2/c1-25-12-18(28-14-6-9-29(26,27)10-7-14)15-5-4-13(11-17(15)25)22-20-19-16(23-24-20)3-2-8-21-19;1-26-9-16(27-10-11-8-19(11,20)21)13-5-4-12(7-15(13)26)23-18-17-14(24-25-18)3-2-6-22-17;1-24-10-17(26-13-6-8-25-11-13)14-5-4-12(9-16(14)24)21-19-18-15(22-23-19)3-2-7-20-18;1-24-12-17(26-10-4-9-25-2)14-7-6-13(11-16(14)24)21-19-18-15(22-23-19)5-3-8-20-18/h2-5,8,11-12,14H,6-7,9-10H2,1H3,(H2,22,23,24);2-7,9,11H,8,10H2,1H3,(H2,23,24,25);2-5,7,9-10,13H,6,8,11H2,1H3,(H2,21,22,23);3,5-8,11-12H,4,9-10H2,1-2H3,(H2,21,22,23).

What are the key properties of N-[3-[(2,2-difluorocyclopropyl)methoxy]-1-methylindol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[3-(1,1-dioxothian-4-yl)oxy-1-methylindol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[3-(3-methoxypropoxy)-1-methylindol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[1-methyl-3-(oxolan-3-yloxy)indol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine?

N-[3-[(2,2-difluorocyclopropyl)methoxy]-1-methylindol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[3-(1,1-dioxothian-4-yl)oxy-1-methylindol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[3-(3-methoxypropoxy)-1-methylindol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[1-methyl-3-(oxolan-3-yloxy)indol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine has a molecular weight of 1481.67 g/mol, XLogP of 14.35, 20 rotatable bonds, 8 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[(2,2-difluorocyclopropyl)methoxy]-1-methylindol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[3-(1,1-dioxothian-4-yl)oxy-1-methylindol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[3-(3-methoxypropoxy)-1-methylindol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[1-methyl-3-(oxolan-3-yloxy)indol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine is sourced from PubChem (CID 167614429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).