N-(3,3-difluorocyclobutyl)-N-methyl-6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)naphthalene-1-carboxamide;1-(1,1-difluoroethyl)-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)isoquinolin-6-amine;1-(1,1-difluoroethyl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-(1,1-difluoroethyl)-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)isoquinolin-6-amine

C72H57F8N21O — CID 158320957

About N-(3,3-difluorocyclobutyl)-N-methyl-6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)naphthalene-1-carboxamide;1-(1,1-difluoroethyl)-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)isoquinolin-6-amine;1-(1,1-difluoroethyl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-(1,1-difluoroethyl)-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)isoquinolin-6-amine

N-(3,3-difluorocyclobutyl)-N-methyl-6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)naphthalene-1-carboxamide;1-(1,1-difluoroethyl)-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)isoquinolin-6-amine;1-(1,1-difluoroethyl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-(1,1-difluoroethyl)-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)isoquinolin-6-amine (PubChem CID 158320957) has the molecular formula C72H57F8N21O and a molecular weight of 1384.38 g/mol. Its IUPAC name is N-(3,3-difluorocyclobutyl)-N-methyl-6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)naphthalene-1-carboxamide;1-(1,1-difluoroethyl)-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)isoquinolin-6-amine;1-(1,1-difluoroethyl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-(1,1-difluoroethyl)-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)isoquinolin-6-amine.

Molecular Properties

• Compound Name: N-(3,3-difluorocyclobutyl)-N-methyl-6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)naphthalene-1-carboxamide;1-(1,1-difluoroethyl)-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)isoquinolin-6-amine;1-(1,1-difluoroethyl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-(1,1-difluoroethyl)-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)isoquinolin-6-amine
• PubChem CID: 158320957
• Molecular Formula: C72H57F8N21O
• Molecular Weight: 1384.38 g/mol
• Exact Mass: 1383.49
• IUPAC Name: N-(3,3-difluorocyclobutyl)-N-methyl-6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)naphthalene-1-carboxamide;1-(1,1-difluoroethyl)-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)isoquinolin-6-amine;1-(1,1-difluoroethyl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-(1,1-difluoroethyl)-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)isoquinolin-6-amine
• SMILES: CC(F)(F)c1nccc2cc(Nc3[nH]nc4ncccc34)ccc12.CC(F)(F)c1nccc2cc(Nc3[nH]nc4nccnc34)ccc12.CC(F)(F)c1nccc2cc(Nc3n[nH]c4cccnc34)ccc12.CN(C(=O)c1cccc2cc(Nc3n[nH]c4cccnc34)ccc12)C1CC(F)(F)C1
• InChI: InChI=1S/C22H19F2N5O.2C17H13F2N5.C16H12F2N6/c1-29(15-11-22(23,24)12-15)21(30)17-5-2-4-13-10-14(7-8-16(13)17)26-20-19-18(27-28-20)6-3-9-25-19;1-17(18,19)15-12-5-4-11(9-10(12)6-8-21-15)22-16-14-13(23-24-16)3-2-7-20-14;1-17(18,19)14-12-5-4-11(9-10(12)6-8-20-14)22-16-13-3-2-7-21-15(13)23-24-16;1-16(17,18)13-11-3-2-10(8-9(11)4-5-20-13)22-15-12-14(23-24-15)21-7-6-19-12/h2-10,15H,11-12H2,1H3,(H2,26,27,28);2-9H,1H3,(H2,22,23,24);2-9H,1H3,(H2,21,22,23,24);2-8H,1H3,(H2,21,22,23,24)
• InChIKey: GOVNQIKQSZJLFM-UHFFFAOYSA-N
• XLogP: 17.20
• TPSA: 286.27 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 17
• Rotatable Bonds: 13
• Heavy Atoms: 102
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1384.38
LogP ≤ 5	17.20
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	17

Frequently Asked Questions

What is the IUPAC name of N-(3,3-difluorocyclobutyl)-N-methyl-6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)naphthalene-1-carboxamide;1-(1,1-difluoroethyl)-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)isoquinolin-6-amine;1-(1,1-difluoroethyl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-(1,1-difluoroethyl)-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)isoquinolin-6-amine?

The IUPAC name of N-(3,3-difluorocyclobutyl)-N-methyl-6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)naphthalene-1-carboxamide;1-(1,1-difluoroethyl)-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)isoquinolin-6-amine;1-(1,1-difluoroethyl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-(1,1-difluoroethyl)-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)isoquinolin-6-amine (CID 158320957) is N-(3,3-difluorocyclobutyl)-N-methyl-6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)naphthalene-1-carboxamide;1-(1,1-difluoroethyl)-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)isoquinolin-6-amine;1-(1,1-difluoroethyl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-(1,1-difluoroethyl)-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)isoquinolin-6-amine.

What is the SMILES notation for N-(3,3-difluorocyclobutyl)-N-methyl-6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)naphthalene-1-carboxamide;1-(1,1-difluoroethyl)-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)isoquinolin-6-amine;1-(1,1-difluoroethyl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-(1,1-difluoroethyl)-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)isoquinolin-6-amine?

The canonical SMILES for N-(3,3-difluorocyclobutyl)-N-methyl-6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)naphthalene-1-carboxamide;1-(1,1-difluoroethyl)-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)isoquinolin-6-amine;1-(1,1-difluoroethyl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-(1,1-difluoroethyl)-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)isoquinolin-6-amine is CC(F)(F)c1nccc2cc(Nc3[nH]nc4ncccc34)ccc12.CC(F)(F)c1nccc2cc(Nc3[nH]nc4nccnc34)ccc12.CC(F)(F)c1nccc2cc(Nc3n[nH]c4cccnc34)ccc12.CN(C(=O)c1cccc2cc(Nc3n[nH]c4cccnc34)ccc12)C1CC(F)(F)C1.

What is the InChIKey of N-(3,3-difluorocyclobutyl)-N-methyl-6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)naphthalene-1-carboxamide;1-(1,1-difluoroethyl)-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)isoquinolin-6-amine;1-(1,1-difluoroethyl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-(1,1-difluoroethyl)-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)isoquinolin-6-amine?

The InChIKey is GOVNQIKQSZJLFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F2N5O.2C17H13F2N5.C16H12F2N6/c1-29(15-11-22(23,24)12-15)21(30)17-5-2-4-13-10-14(7-8-16(13)17)26-20-19-18(27-28-20)6-3-9-25-19;1-17(18,19)15-12-5-4-11(9-10(12)6-8-21-15)22-16-14-13(23-24-16)3-2-7-20-14;1-17(18,19)14-12-5-4-11(9-10(12)6-8-20-14)22-16-13-3-2-7-21-15(13)23-24-16;1-16(17,18)13-11-3-2-10(8-9(11)4-5-20-13)22-15-12-14(23-24-15)21-7-6-19-12/h2-10,15H,11-12H2,1H3,(H2,26,27,28);2-9H,1H3,(H2,22,23,24);2-9H,1H3,(H2,21,22,23,24);2-8H,1H3,(H2,21,22,23,24).

What are the key properties of N-(3,3-difluorocyclobutyl)-N-methyl-6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)naphthalene-1-carboxamide;1-(1,1-difluoroethyl)-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)isoquinolin-6-amine;1-(1,1-difluoroethyl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-(1,1-difluoroethyl)-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)isoquinolin-6-amine?

N-(3,3-difluorocyclobutyl)-N-methyl-6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)naphthalene-1-carboxamide;1-(1,1-difluoroethyl)-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)isoquinolin-6-amine;1-(1,1-difluoroethyl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-(1,1-difluoroethyl)-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)isoquinolin-6-amine has a molecular weight of 1384.38 g/mol, XLogP of 17.20, 13 rotatable bonds, 8 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3,3-difluorocyclobutyl)-N-methyl-6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)naphthalene-1-carboxamide;1-(1,1-difluoroethyl)-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)isoquinolin-6-amine;1-(1,1-difluoroethyl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-(1,1-difluoroethyl)-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)isoquinolin-6-amine is sourced from PubChem (CID 158320957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).