2-(2-chlorophenyl)-N-(5-fluoro-1H-indazol-3-yl)pteridin-4-amine;N-(5,7-difluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]pteridin-4-amine;N-(5-fluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-6,7-dihydrofuro[3,2-d]pyrimidin-4-amine;N-(5-fluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-7,8-dihydro-6H-pyrano[3,2-d]pyrimidin-4-amine

C80H49ClF14N24O2 — CID 159519438

IUPAC2-(2-chlorophenyl)-N-(5-fluoro-1H-indazol-3-yl)pteridin-4-amine;N-(5,7-difluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]pteridin-4-amine;N-(5-fluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-6,7-dihydrofuro[3,2-d]pyrimidin-4-amine;N-(5-fluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-7,8-dihydro-6H-pyrano[3,2-d]pyrimidin-4-amine
SMILESFc1cc(F)c2[nH]nc(Nc3nc(-c4ccccc4C(F)(F)F)nc4nccnc34)c2c1.Fc1ccc2[nH]nc(Nc3nc(-c4ccccc4C(F)(F)F)nc4c3OCC4)c2c1.Fc1ccc2[nH]nc(Nc3nc(-c4ccccc4C(F)(F)F)nc4c3OCCC4)c2c1.Fc1ccc2[nH]nc(Nc3nc(-c4ccccc4Cl)nc4nccnc34)c2c1
InChIInChI=1S/C21H15F4N5O.C20H10F5N7.C20H13F4N5O.C19H11ClFN7/c22-11-7-8-15-13(10-11)19(30-29-15)28-20-17-16(6-3-9-31-17)26-18(27-20)12-4-1-2-5-14(12)21(23,24)25;21-9-7-11-14(13(22)8-9)31-32-17(11)30-19-15-18(27-6-5-26-15)28-16(29-19)10-3-1-2-4-12(10)20(23,24)25;21-10-5-6-14-12(9-10)18(29-28-14)27-19-16-15(7-8-30-16)25-17(26-19)11-3-1-2-4-13(11)20(22,23)24;20-13-4-2-1-3-11(13)16-24-18-15(22-7-8-23-18)19(25-16)26-17-12-9-10(21)5-6-14(12)27-28-17/h1-2,4-5,7-8,10H,3,6,9H2,(H2,26,27,28,29,30);1-8H,(H2,27,28,29,30,31,32);1-6,9H,7-8H2,(H2,25,26,27,28,29);1-9H,(H2,23,24,25,26,27,28)
InChIKeyMBPRQTCVTCWTBV-UHFFFAOYSA-N
MW1679.86 g/mol
LogP19.61
Rot. Bonds12

About 2-(2-chlorophenyl)-N-(5-fluoro-1H-indazol-3-yl)pteridin-4-amine;N-(5,7-difluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]pteridin-4-amine;N-(5-fluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-6,7-dihydrofuro[3,2-d]pyrimidin-4-amine;N-(5-fluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-7,8-dihydro-6H-pyrano[3,2-d]pyrimidin-4-amine

2-(2-chlorophenyl)-N-(5-fluoro-1H-indazol-3-yl)pteridin-4-amine;N-(5,7-difluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]pteridin-4-amine;N-(5-fluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-6,7-dihydrofuro[3,2-d]pyrimidin-4-amine;N-(5-fluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-7,8-dihydro-6H-pyrano[3,2-d]pyrimidin-4-amine (PubChem CID 159519438) has the molecular formula C80H49ClF14N24O2 and a molecular weight of 1679.86 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-(5-fluoro-1H-indazol-3-yl)pteridin-4-amine;N-(5,7-difluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]pteridin-4-amine;N-(5-fluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-6,7-dihydrofuro[3,2-d]pyrimidin-4-amine;N-(5-fluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-7,8-dihydro-6H-pyrano[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(2-chlorophenyl)-N-(5-fluoro-1H-indazol-3-yl)pteridin-4-amine;N-(5,7-difluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]pteridin-4-amine;N-(5-fluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-6,7-dihydrofuro[3,2-d]pyrimidin-4-amine;N-(5-fluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-7,8-dihydro-6H-pyrano[3,2-d]pyrimidin-4-amine
PubChem CID159519438
Molecular FormulaC80H49ClF14N24O2
Molecular Weight1679.86 g/mol
Exact Mass1678.39
IUPAC Name2-(2-chlorophenyl)-N-(5-fluoro-1H-indazol-3-yl)pteridin-4-amine;N-(5,7-difluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]pteridin-4-amine;N-(5-fluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-6,7-dihydrofuro[3,2-d]pyrimidin-4-amine;N-(5-fluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-7,8-dihydro-6H-pyrano[3,2-d]pyrimidin-4-amine
SMILESFc1cc(F)c2[nH]nc(Nc3nc(-c4ccccc4C(F)(F)F)nc4nccnc34)c2c1.Fc1ccc2[nH]nc(Nc3nc(-c4ccccc4C(F)(F)F)nc4c3OCC4)c2c1.Fc1ccc2[nH]nc(Nc3nc(-c4ccccc4C(F)(F)F)nc4c3OCCC4)c2c1.Fc1ccc2[nH]nc(Nc3nc(-c4ccccc4Cl)nc4nccnc34)c2c1
InChIInChI=1S/C21H15F4N5O.C20H10F5N7.C20H13F4N5O.C19H11ClFN7/c22-11-7-8-15-13(10-11)19(30-29-15)28-20-17-16(6-3-9-31-17)26-18(27-20)12-4-1-2-5-14(12)21(23,24)25;21-9-7-11-14(13(22)8-9)31-32-17(11)30-19-15-18(27-6-5-26-15)28-16(29-19)10-3-1-2-4-12(10)20(23,24)25;21-10-5-6-14-12(9-10)18(29-28-14)27-19-16-15(7-8-30-16)25-17(26-19)11-3-1-2-4-13(11)20(22,23)24;20-13-4-2-1-3-11(13)16-24-18-15(22-7-8-23-18)19(25-16)26-17-12-9-10(21)5-6-14(12)27-28-17/h1-2,4-5,7-8,10H,3,6,9H2,(H2,26,27,28,29,30);1-8H,(H2,27,28,29,30,31,32);1-6,9H,7-8H2,(H2,25,26,27,28,29);1-9H,(H2,23,24,25,26,27,28)
InChIKeyMBPRQTCVTCWTBV-UHFFFAOYSA-N
XLogP19.61
TPSA335.98 Ų
H-Bond Donors8
H-Bond Acceptors22
Rotatable Bonds12
Heavy Atoms121
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001679.86
LogP ≤ 519.61
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1022

Analyze 2-(2-chlorophenyl)-N-(5-fluoro-1H-indazol-3-yl)pteridin-4-amine;N-(5,7-difluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]pteridin-4-amine;N-(5-fluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-6,7-dihydrofuro[3,2-d]pyrimidin-4-amine;N-(5-fluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-7,8-dihydro-6H-pyrano[3,2-d]pyrimidin-4-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-N-(5-fluoro-1H-indazol-3-yl)pteridin-4-amine;N-(5,7-difluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]pteridin-4-amine;N-(5-fluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-6,7-dihydrofuro[3,2-d]pyrimidin-4-amine;N-(5-fluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-7,8-dihydro-6H-pyrano[3,2-d]pyrimidin-4-amine?
The IUPAC name of 2-(2-chlorophenyl)-N-(5-fluoro-1H-indazol-3-yl)pteridin-4-amine;N-(5,7-difluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]pteridin-4-amine;N-(5-fluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-6,7-dihydrofuro[3,2-d]pyrimidin-4-amine;N-(5-fluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-7,8-dihydro-6H-pyrano[3,2-d]pyrimidin-4-amine (CID 159519438) is 2-(2-chlorophenyl)-N-(5-fluoro-1H-indazol-3-yl)pteridin-4-amine;N-(5,7-difluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]pteridin-4-amine;N-(5-fluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-6,7-dihydrofuro[3,2-d]pyrimidin-4-amine;N-(5-fluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-7,8-dihydro-6H-pyrano[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for 2-(2-chlorophenyl)-N-(5-fluoro-1H-indazol-3-yl)pteridin-4-amine;N-(5,7-difluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]pteridin-4-amine;N-(5-fluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-6,7-dihydrofuro[3,2-d]pyrimidin-4-amine;N-(5-fluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-7,8-dihydro-6H-pyrano[3,2-d]pyrimidin-4-amine?
The canonical SMILES for 2-(2-chlorophenyl)-N-(5-fluoro-1H-indazol-3-yl)pteridin-4-amine;N-(5,7-difluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]pteridin-4-amine;N-(5-fluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-6,7-dihydrofuro[3,2-d]pyrimidin-4-amine;N-(5-fluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-7,8-dihydro-6H-pyrano[3,2-d]pyrimidin-4-amine is Fc1cc(F)c2[nH]nc(Nc3nc(-c4ccccc4C(F)(F)F)nc4nccnc34)c2c1.Fc1ccc2[nH]nc(Nc3nc(-c4ccccc4C(F)(F)F)nc4c3OCC4)c2c1.Fc1ccc2[nH]nc(Nc3nc(-c4ccccc4C(F)(F)F)nc4c3OCCC4)c2c1.Fc1ccc2[nH]nc(Nc3nc(-c4ccccc4Cl)nc4nccnc34)c2c1.
What is the InChIKey of 2-(2-chlorophenyl)-N-(5-fluoro-1H-indazol-3-yl)pteridin-4-amine;N-(5,7-difluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]pteridin-4-amine;N-(5-fluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-6,7-dihydrofuro[3,2-d]pyrimidin-4-amine;N-(5-fluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-7,8-dihydro-6H-pyrano[3,2-d]pyrimidin-4-amine?
The InChIKey is MBPRQTCVTCWTBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F4N5O.C20H10F5N7.C20H13F4N5O.C19H11ClFN7/c22-11-7-8-15-13(10-11)19(30-29-15)28-20-17-16(6-3-9-31-17)26-18(27-20)12-4-1-2-5-14(12)21(23,24)25;21-9-7-11-14(13(22)8-9)31-32-17(11)30-19-15-18(27-6-5-26-15)28-16(29-19)10-3-1-2-4-12(10)20(23,24)25;21-10-5-6-14-12(9-10)18(29-28-14)27-19-16-15(7-8-30-16)25-17(26-19)11-3-1-2-4-13(11)20(22,23)24;20-13-4-2-1-3-11(13)16-24-18-15(22-7-8-23-18)19(25-16)26-17-12-9-10(21)5-6-14(12)27-28-17/h1-2,4-5,7-8,10H,3,6,9H2,(H2,26,27,28,29,30);1-8H,(H2,27,28,29,30,31,32);1-6,9H,7-8H2,(H2,25,26,27,28,29);1-9H,(H2,23,24,25,26,27,28).
What are the key properties of 2-(2-chlorophenyl)-N-(5-fluoro-1H-indazol-3-yl)pteridin-4-amine;N-(5,7-difluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]pteridin-4-amine;N-(5-fluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-6,7-dihydrofuro[3,2-d]pyrimidin-4-amine;N-(5-fluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-7,8-dihydro-6H-pyrano[3,2-d]pyrimidin-4-amine?
2-(2-chlorophenyl)-N-(5-fluoro-1H-indazol-3-yl)pteridin-4-amine;N-(5,7-difluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]pteridin-4-amine;N-(5-fluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-6,7-dihydrofuro[3,2-d]pyrimidin-4-amine;N-(5-fluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-7,8-dihydro-6H-pyrano[3,2-d]pyrimidin-4-amine has a molecular weight of 1679.86 g/mol, XLogP of 19.61, 12 rotatable bonds, 8 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-N-(5-fluoro-1H-indazol-3-yl)pteridin-4-amine;N-(5,7-difluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]pteridin-4-amine;N-(5-fluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-6,7-dihydrofuro[3,2-d]pyrimidin-4-amine;N-(5-fluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-7,8-dihydro-6H-pyrano[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 159519438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).