N-(3-fluorocyclobutyl)-6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)naphthalene-1-carboxamide;N-[5-[1-[(3S)-3-fluoropyrrolidin-1-yl]ethenyl]naphthalen-2-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-(3-methylsulfonylpropyl)-6-(2H-pyrazolo[4,3-b]pyridin-3-ylmethyl)naphthalene-1-carboxamide;1-[4-[1-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)naphthalen-1-yl]ethenyl]piperazin-1-yl]ethanone

C89H84F2N20O5S — CID 158614636

About N-(3-fluorocyclobutyl)-6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)naphthalene-1-carboxamide;N-[5-[1-[(3S)-3-fluoropyrrolidin-1-yl]ethenyl]naphthalen-2-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-(3-methylsulfonylpropyl)-6-(2H-pyrazolo[4,3-b]pyridin-3-ylmethyl)naphthalene-1-carboxamide;1-[4-[1-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)naphthalen-1-yl]ethenyl]piperazin-1-yl]ethanone

N-(3-fluorocyclobutyl)-6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)naphthalene-1-carboxamide;N-[5-[1-[(3S)-3-fluoropyrrolidin-1-yl]ethenyl]naphthalen-2-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-(3-methylsulfonylpropyl)-6-(2H-pyrazolo[4,3-b]pyridin-3-ylmethyl)naphthalene-1-carboxamide;1-[4-[1-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)naphthalen-1-yl]ethenyl]piperazin-1-yl]ethanone (PubChem CID 158614636) has the molecular formula C89H84F2N20O5S and a molecular weight of 1583.85 g/mol. Its IUPAC name is N-(3-fluorocyclobutyl)-6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)naphthalene-1-carboxamide;N-[5-[1-[(3S)-3-fluoropyrrolidin-1-yl]ethenyl]naphthalen-2-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-(3-methylsulfonylpropyl)-6-(2H-pyrazolo[4,3-b]pyridin-3-ylmethyl)naphthalene-1-carboxamide;1-[4-[1-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)naphthalen-1-yl]ethenyl]piperazin-1-yl]ethanone.

Molecular Properties

• Compound Name: N-(3-fluorocyclobutyl)-6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)naphthalene-1-carboxamide;N-[5-[1-[(3S)-3-fluoropyrrolidin-1-yl]ethenyl]naphthalen-2-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-(3-methylsulfonylpropyl)-6-(2H-pyrazolo[4,3-b]pyridin-3-ylmethyl)naphthalene-1-carboxamide;1-[4-[1-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)naphthalen-1-yl]ethenyl]piperazin-1-yl]ethanone
• PubChem CID: 158614636
• Molecular Formula: C89H84F2N20O5S
• Molecular Weight: 1583.85 g/mol
• Exact Mass: 1582.66
• IUPAC Name: N-(3-fluorocyclobutyl)-6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)naphthalene-1-carboxamide;N-[5-[1-[(3S)-3-fluoropyrrolidin-1-yl]ethenyl]naphthalen-2-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-(3-methylsulfonylpropyl)-6-(2H-pyrazolo[4,3-b]pyridin-3-ylmethyl)naphthalene-1-carboxamide;1-[4-[1-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)naphthalen-1-yl]ethenyl]piperazin-1-yl]ethanone
• SMILES: C=C(c1cccc2cc(Nc3n[nH]c4cccnc34)ccc12)N1CCN(C(C)=O)CC1.C=C(c1cccc2cc(Nc3n[nH]c4cccnc34)ccc12)N1CC[C@H](F)C1.CS(=O)(=O)CCCNC(=O)c1cccc2cc(Cc3[nH]nc4cccnc34)ccc12.O=C(NC1CC(F)C1)c1cccc2cc(Nc3n[nH]c4cccnc34)ccc12
• InChI: InChI=1S/C24H24N6O.C22H20FN5.C22H22N4O3S.C21H18FN5O/c1-16(29-11-13-30(14-12-29)17(2)31)20-6-3-5-18-15-19(8-9-21(18)20)26-24-23-22(27-28-24)7-4-10-25-23;1-14(28-11-9-16(23)13-28)18-5-2-4-15-12-17(7-8-19(15)18)25-22-21-20(26-27-22)6-3-10-24-21;1-30(28,29)12-4-11-24-22(27)18-6-2-5-16-13-15(8-9-17(16)18)14-20-21-19(25-26-20)7-3-10-23-21;22-13-10-15(11-13)25-21(28)17-4-1-3-12-9-14(6-7-16(12)17)24-20-19-18(26-27-20)5-2-8-23-19/h3-10,15H,1,11-14H2,2H3,(H2,26,27,28);2-8,10,12,16H,1,9,11,13H2,(H2,25,26,27);2-3,5-10,13H,4,11-12,14H2,1H3,(H,24,27)(H,25,26);1-9,13,15H,10-11H2,(H,25,28)(H2,24,26,27)/t;16-;;/m.0../s1
• InChIKey: HXFXKUNFTYDOQY-JVNATMDVSA-N
• XLogP: 15.81
• TPSA: 321.50 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 18
• Rotatable Bonds: 19
• Heavy Atoms: 117
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1583.85
LogP ≤ 5	15.81
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorocyclobutyl)-6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)naphthalene-1-carboxamide;N-[5-[1-[(3S)-3-fluoropyrrolidin-1-yl]ethenyl]naphthalen-2-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-(3-methylsulfonylpropyl)-6-(2H-pyrazolo[4,3-b]pyridin-3-ylmethyl)naphthalene-1-carboxamide;1-[4-[1-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)naphthalen-1-yl]ethenyl]piperazin-1-yl]ethanone?

The IUPAC name of N-(3-fluorocyclobutyl)-6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)naphthalene-1-carboxamide;N-[5-[1-[(3S)-3-fluoropyrrolidin-1-yl]ethenyl]naphthalen-2-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-(3-methylsulfonylpropyl)-6-(2H-pyrazolo[4,3-b]pyridin-3-ylmethyl)naphthalene-1-carboxamide;1-[4-[1-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)naphthalen-1-yl]ethenyl]piperazin-1-yl]ethanone (CID 158614636) is N-(3-fluorocyclobutyl)-6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)naphthalene-1-carboxamide;N-[5-[1-[(3S)-3-fluoropyrrolidin-1-yl]ethenyl]naphthalen-2-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-(3-methylsulfonylpropyl)-6-(2H-pyrazolo[4,3-b]pyridin-3-ylmethyl)naphthalene-1-carboxamide;1-[4-[1-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)naphthalen-1-yl]ethenyl]piperazin-1-yl]ethanone.

What is the SMILES notation for N-(3-fluorocyclobutyl)-6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)naphthalene-1-carboxamide;N-[5-[1-[(3S)-3-fluoropyrrolidin-1-yl]ethenyl]naphthalen-2-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-(3-methylsulfonylpropyl)-6-(2H-pyrazolo[4,3-b]pyridin-3-ylmethyl)naphthalene-1-carboxamide;1-[4-[1-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)naphthalen-1-yl]ethenyl]piperazin-1-yl]ethanone?

The canonical SMILES for N-(3-fluorocyclobutyl)-6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)naphthalene-1-carboxamide;N-[5-[1-[(3S)-3-fluoropyrrolidin-1-yl]ethenyl]naphthalen-2-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-(3-methylsulfonylpropyl)-6-(2H-pyrazolo[4,3-b]pyridin-3-ylmethyl)naphthalene-1-carboxamide;1-[4-[1-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)naphthalen-1-yl]ethenyl]piperazin-1-yl]ethanone is C=C(c1cccc2cc(Nc3n[nH]c4cccnc34)ccc12)N1CCN(C(C)=O)CC1.C=C(c1cccc2cc(Nc3n[nH]c4cccnc34)ccc12)N1CC[C@H](F)C1.CS(=O)(=O)CCCNC(=O)c1cccc2cc(Cc3[nH]nc4cccnc34)ccc12.O=C(NC1CC(F)C1)c1cccc2cc(Nc3n[nH]c4cccnc34)ccc12.

What is the InChIKey of N-(3-fluorocyclobutyl)-6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)naphthalene-1-carboxamide;N-[5-[1-[(3S)-3-fluoropyrrolidin-1-yl]ethenyl]naphthalen-2-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-(3-methylsulfonylpropyl)-6-(2H-pyrazolo[4,3-b]pyridin-3-ylmethyl)naphthalene-1-carboxamide;1-[4-[1-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)naphthalen-1-yl]ethenyl]piperazin-1-yl]ethanone?

The InChIKey is HXFXKUNFTYDOQY-JVNATMDVSA-N. The full InChI is InChI=1S/C24H24N6O.C22H20FN5.C22H22N4O3S.C21H18FN5O/c1-16(29-11-13-30(14-12-29)17(2)31)20-6-3-5-18-15-19(8-9-21(18)20)26-24-23-22(27-28-24)7-4-10-25-23;1-14(28-11-9-16(23)13-28)18-5-2-4-15-12-17(7-8-19(15)18)25-22-21-20(26-27-22)6-3-10-24-21;1-30(28,29)12-4-11-24-22(27)18-6-2-5-16-13-15(8-9-17(16)18)14-20-21-19(25-26-20)7-3-10-23-21;22-13-10-15(11-13)25-21(28)17-4-1-3-12-9-14(6-7-16(12)17)24-20-19-18(26-27-20)5-2-8-23-19/h3-10,15H,1,11-14H2,2H3,(H2,26,27,28);2-8,10,12,16H,1,9,11,13H2,(H2,25,26,27);2-3,5-10,13H,4,11-12,14H2,1H3,(H,24,27)(H,25,26);1-9,13,15H,10-11H2,(H,25,28)(H2,24,26,27)/t;16-;;/m.0../s1.

What are the key properties of N-(3-fluorocyclobutyl)-6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)naphthalene-1-carboxamide;N-[5-[1-[(3S)-3-fluoropyrrolidin-1-yl]ethenyl]naphthalen-2-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-(3-methylsulfonylpropyl)-6-(2H-pyrazolo[4,3-b]pyridin-3-ylmethyl)naphthalene-1-carboxamide;1-[4-[1-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)naphthalen-1-yl]ethenyl]piperazin-1-yl]ethanone?

N-(3-fluorocyclobutyl)-6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)naphthalene-1-carboxamide;N-[5-[1-[(3S)-3-fluoropyrrolidin-1-yl]ethenyl]naphthalen-2-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-(3-methylsulfonylpropyl)-6-(2H-pyrazolo[4,3-b]pyridin-3-ylmethyl)naphthalene-1-carboxamide;1-[4-[1-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)naphthalen-1-yl]ethenyl]piperazin-1-yl]ethanone has a molecular weight of 1583.85 g/mol, XLogP of 15.81, 19 rotatable bonds, 9 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-fluorocyclobutyl)-6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)naphthalene-1-carboxamide;N-[5-[1-[(3S)-3-fluoropyrrolidin-1-yl]ethenyl]naphthalen-2-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-(3-methylsulfonylpropyl)-6-(2H-pyrazolo[4,3-b]pyridin-3-ylmethyl)naphthalene-1-carboxamide;1-[4-[1-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)naphthalen-1-yl]ethenyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 158614636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).