2-[1-[(4-ethoxy-2,6-difluorophenyl)methyl]indazol-3-yl]-N-(3-methyl-4-pyridinyl)-3,5,7,7a-tetrahydrofuro[3,4-d]pyrimidin-4-amine

C28H26F2N6O2 — CID 118972139

IUPAC2-[1-[(4-ethoxy-2,6-difluorophenyl)methyl]indazol-3-yl]-N-(3-methyl-4-pyridinyl)-3,5,7,7a-tetrahydrofuro[3,4-d]pyrimidin-4-amine
SMILESCCOc1cc(F)c(Cn2nc(C3=NC4COCC4=C(Nc4ccncc4C)N3)c3ccccc32)c(F)c1
InChIInChI=1S/C28H26F2N6O2/c1-3-38-17-10-21(29)19(22(30)11-17)13-36-25-7-5-4-6-18(25)26(35-36)28-33-24-15-37-14-20(24)27(34-28)32-23-8-9-31-12-16(23)2/h4-12,24H,3,13-15H2,1-2H3,(H,31,32)(H,33,34)
InChIKeyAZFIEGVMHSTACL-UHFFFAOYSA-N
MW516.55 g/mol
LogP4.54
Rot. Bonds7

About 2-[1-[(4-ethoxy-2,6-difluorophenyl)methyl]indazol-3-yl]-N-(3-methyl-4-pyridinyl)-3,5,7,7a-tetrahydrofuro[3,4-d]pyrimidin-4-amine

2-[1-[(4-ethoxy-2,6-difluorophenyl)methyl]indazol-3-yl]-N-(3-methyl-4-pyridinyl)-3,5,7,7a-tetrahydrofuro[3,4-d]pyrimidin-4-amine (PubChem CID 118972139) has the molecular formula C28H26F2N6O2 and a molecular weight of 516.55 g/mol. Its IUPAC name is 2-[1-[(4-ethoxy-2,6-difluorophenyl)methyl]indazol-3-yl]-N-(3-methyl-4-pyridinyl)-3,5,7,7a-tetrahydrofuro[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-[1-[(4-ethoxy-2,6-difluorophenyl)methyl]indazol-3-yl]-N-(3-methyl-4-pyridinyl)-3,5,7,7a-tetrahydrofuro[3,4-d]pyrimidin-4-amine
PubChem CID118972139
Molecular FormulaC28H26F2N6O2
Molecular Weight516.55 g/mol
Exact Mass516.21
IUPAC Name2-[1-[(4-ethoxy-2,6-difluorophenyl)methyl]indazol-3-yl]-N-(3-methyl-4-pyridinyl)-3,5,7,7a-tetrahydrofuro[3,4-d]pyrimidin-4-amine
SMILESCCOc1cc(F)c(Cn2nc(C3=NC4COCC4=C(Nc4ccncc4C)N3)c3ccccc32)c(F)c1
InChIInChI=1S/C28H26F2N6O2/c1-3-38-17-10-21(29)19(22(30)11-17)13-36-25-7-5-4-6-18(25)26(35-36)28-33-24-15-37-14-20(24)27(34-28)32-23-8-9-31-12-16(23)2/h4-12,24H,3,13-15H2,1-2H3,(H,31,32)(H,33,34)
InChIKeyAZFIEGVMHSTACL-UHFFFAOYSA-N
XLogP4.54
TPSA85.59 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500516.55
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-[1-[(4-ethoxy-2,6-difluorophenyl)methyl]indazol-3-yl]-N-(3-methyl-4-pyridinyl)-3,5,7,7a-tetrahydrofuro[3,4-d]pyrimidin-4-amine with MolForge

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Related Compounds

Taletrectinib
CID 72202474
2-(3,5-difluoro-4-((3-(5-methoxy-4-((3-methoxypyridin-4-yl)amino)pyrimidin-2-yl)-1H-indazol-1-yl)methyl)phenoxy)ethan-1-ol
CID 118958833
N-(3,4-Difluorophenyl)-4-(2-(4-methoxyphenyl)pyrazolo[1,5-b]pyridazin-3-yl)pyrimidin-2-amine
CID 6539412
2-[1-[(4-ethoxy-2,6-difluorophenyl)methyl]-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl]-5-methoxy-N-pyridin-4-ylpyrimidin-4-amine
CID 72202254
5-[2-(dimethylamino)ethoxy]-2-[1-[(4-ethoxy-2,6-difluorophenyl)methyl]-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl]-N-pyridin-4-ylpyrimidin-4-amine
CID 72202696
Ibtrozi
CID 154699459
1-(4-methoxyphenyl)-3-methyl-N-[(1S)-1-phenylethyl]-1H-pyrazolo[4,3-c]pyridin-6-amine
CID 25093249
2-[1-[(4-ethoxy-2,6-difluorophenyl)methyl]-5-methoxy-4-methylpyrazol-3-yl]-5-methoxy-N-pyridin-4-ylpyrimidin-4-amine
CID 71611179
2-[5-cyclopropyl-1-[(4-ethoxy-2,6-difluorophenyl)methyl]-4-methylpyrazol-3-yl]-5-methoxy-N-pyridin-4-ylpyrimidin-4-amine
CID 71611462
US9765058, Example 2-2-10
CID 86580572
4-(1-methylpyrazol-4-yl)-6-(4-phenylmethoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidine
CID 165390855
1-(3-methoxyphenyl)-3-methyl-N-[(1S)-1-phenylethyl]-1H-pyrazolo[4,3-c]pyridin-6-amine
CID 25093248

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-ethoxy-2,6-difluorophenyl)methyl]indazol-3-yl]-N-(3-methyl-4-pyridinyl)-3,5,7,7a-tetrahydrofuro[3,4-d]pyrimidin-4-amine?
The IUPAC name of 2-[1-[(4-ethoxy-2,6-difluorophenyl)methyl]indazol-3-yl]-N-(3-methyl-4-pyridinyl)-3,5,7,7a-tetrahydrofuro[3,4-d]pyrimidin-4-amine (CID 118972139) is 2-[1-[(4-ethoxy-2,6-difluorophenyl)methyl]indazol-3-yl]-N-(3-methyl-4-pyridinyl)-3,5,7,7a-tetrahydrofuro[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 2-[1-[(4-ethoxy-2,6-difluorophenyl)methyl]indazol-3-yl]-N-(3-methyl-4-pyridinyl)-3,5,7,7a-tetrahydrofuro[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 2-[1-[(4-ethoxy-2,6-difluorophenyl)methyl]indazol-3-yl]-N-(3-methyl-4-pyridinyl)-3,5,7,7a-tetrahydrofuro[3,4-d]pyrimidin-4-amine is CCOc1cc(F)c(Cn2nc(C3=NC4COCC4=C(Nc4ccncc4C)N3)c3ccccc32)c(F)c1.
What is the InChIKey of 2-[1-[(4-ethoxy-2,6-difluorophenyl)methyl]indazol-3-yl]-N-(3-methyl-4-pyridinyl)-3,5,7,7a-tetrahydrofuro[3,4-d]pyrimidin-4-amine?
The InChIKey is AZFIEGVMHSTACL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26F2N6O2/c1-3-38-17-10-21(29)19(22(30)11-17)13-36-25-7-5-4-6-18(25)26(35-36)28-33-24-15-37-14-20(24)27(34-28)32-23-8-9-31-12-16(23)2/h4-12,24H,3,13-15H2,1-2H3,(H,31,32)(H,33,34).
What are the key properties of 2-[1-[(4-ethoxy-2,6-difluorophenyl)methyl]indazol-3-yl]-N-(3-methyl-4-pyridinyl)-3,5,7,7a-tetrahydrofuro[3,4-d]pyrimidin-4-amine?
2-[1-[(4-ethoxy-2,6-difluorophenyl)methyl]indazol-3-yl]-N-(3-methyl-4-pyridinyl)-3,5,7,7a-tetrahydrofuro[3,4-d]pyrimidin-4-amine has a molecular weight of 516.55 g/mol, XLogP of 4.54, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-ethoxy-2,6-difluorophenyl)methyl]indazol-3-yl]-N-(3-methyl-4-pyridinyl)-3,5,7,7a-tetrahydrofuro[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 118972139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).