4-[[2-[1-[(4-ethoxy-2,6-difluorophenyl)methyl]indazol-3-yl]-6-methylpyrimidin-4-yl]amino]pyridine-3-carboxamide

C27H23F2N7O2 — CID 118962701

IUPAC4-[[2-[1-[(4-ethoxy-2,6-difluorophenyl)methyl]indazol-3-yl]-6-methylpyrimidin-4-yl]amino]pyridine-3-carboxamide
SMILESCCOc1cc(F)c(Cn2nc(-c3nc(C)cc(Nc4ccncc4C(N)=O)n3)c3ccccc32)c(F)c1
InChIInChI=1S/C27H23F2N7O2/c1-3-38-16-11-20(28)19(21(29)12-16)14-36-23-7-5-4-6-17(23)25(35-36)27-32-15(2)10-24(34-27)33-22-8-9-31-13-18(22)26(30)37/h4-13H,3,14H2,1-2H3,(H2,30,37)(H,31,32,33,34)
InChIKeyILPQQVZONKGVFQ-UHFFFAOYSA-N
MW515.52 g/mol
LogP4.76
Rot. Bonds8

About 4-[[2-[1-[(4-ethoxy-2,6-difluorophenyl)methyl]indazol-3-yl]-6-methylpyrimidin-4-yl]amino]pyridine-3-carboxamide

4-[[2-[1-[(4-ethoxy-2,6-difluorophenyl)methyl]indazol-3-yl]-6-methylpyrimidin-4-yl]amino]pyridine-3-carboxamide (PubChem CID 118962701) has the molecular formula C27H23F2N7O2 and a molecular weight of 515.52 g/mol. Its IUPAC name is 4-[[2-[1-[(4-ethoxy-2,6-difluorophenyl)methyl]indazol-3-yl]-6-methylpyrimidin-4-yl]amino]pyridine-3-carboxamide.

Molecular Properties

Compound Name4-[[2-[1-[(4-ethoxy-2,6-difluorophenyl)methyl]indazol-3-yl]-6-methylpyrimidin-4-yl]amino]pyridine-3-carboxamide
PubChem CID118962701
Molecular FormulaC27H23F2N7O2
Molecular Weight515.52 g/mol
Exact Mass515.19
IUPAC Name4-[[2-[1-[(4-ethoxy-2,6-difluorophenyl)methyl]indazol-3-yl]-6-methylpyrimidin-4-yl]amino]pyridine-3-carboxamide
SMILESCCOc1cc(F)c(Cn2nc(-c3nc(C)cc(Nc4ccncc4C(N)=O)n3)c3ccccc32)c(F)c1
InChIInChI=1S/C27H23F2N7O2/c1-3-38-16-11-20(28)19(21(29)12-16)14-36-23-7-5-4-6-17(23)25(35-36)27-32-15(2)10-24(34-27)33-22-8-9-31-13-18(22)26(30)37/h4-13H,3,14H2,1-2H3,(H2,30,37)(H,31,32,33,34)
InChIKeyILPQQVZONKGVFQ-UHFFFAOYSA-N
XLogP4.76
TPSA120.84 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500515.52
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

lithium 4-[[2-[1-[(4-ethoxy-2,6-difluorophenyl)methyl]indazol-3-yl]-6-methylpyrimidin-4-yl]amino]pyridine-3-carboxylate
CID 118962597
2-[1-[[2,6-difluoro-4-(2-methoxyethoxy)phenyl]methyl]indazol-3-yl]-N-(3-methoxy-4-pyridinyl)-6-methylpyrimidin-4-amine
CID 118962636
2-[3,5-difluoro-4-[[3-[4-methyl-6-[[3-(trifluoromethoxy)-4-pyridinyl]amino]pyrimidin-2-yl]indazol-1-yl]methyl]phenoxy]ethanol
CID 118962683
2-[1-[(4-ethoxy-2,6-difluorophenyl)methyl]indazol-3-yl]-N-(3-fluoro-4-pyridinyl)-6-(morpholin-4-ylmethyl)pyrimidin-4-amine
CID 118962725
2-[1-[(4-ethoxy-2,6-difluorophenyl)methyl]indazol-3-yl]-6-(methylsulfanylmethyl)-N-pyridin-4-ylpyrimidin-4-amine
CID 118962567
ethyl 4-[[2-[5-cyclopropyl-1-[(4-ethoxy-2,6-difluorophenyl)methyl]-4-methylpyrazol-3-yl]pyrimidin-4-yl]amino]pyridine-3-carboxylate
CID 71612141
4-[[4-[1-[(4-ethoxy-2,6-difluorophenyl)methyl]indazol-3-yl]-5-methyl-3-azabicyclo[5.3.0]deca-1,3,5,6-tetraen-2-yl]amino]pyridine-3-carboxylic acid
CID 118972162
4-[4-[(3-chloro-4-pyridinyl)amino]-2-[1-[(4-ethoxy-2,6-difluorophenyl)methyl]indazol-3-yl]pyrimidin-5-yl]oxybutanoic acid
CID 118960968
2-[1-[(4-ethoxy-2,6-difluorophenyl)methyl]indazol-3-yl]-N-pyrimidin-4-yl-6-(1,3-thiazol-2-yl)pyrimidin-4-amine
CID 118962734
N-[4-[[2-[1-[(4-ethoxy-2,6-difluorophenyl)methyl]indazol-3-yl]-5-hydroxypyrimidin-4-yl]amino]-5-methyl-2-pyridinyl]acetamide
CID 137254613
4-[[2-[1-[(4-ethoxy-2,6-difluorophenyl)methyl]indazol-3-yl]-5-methoxypyrimidin-4-yl]amino]pyridine-3-carbonitrile
CID 89487388
1-[4-[[2-[1-[(4-ethoxy-2,6-difluorophenyl)methyl]indazol-3-yl]-5-hydroxypyrimidin-4-yl]amino]-2-pyridinyl]propan-2-one
CID 158548817

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[1-[(4-ethoxy-2,6-difluorophenyl)methyl]indazol-3-yl]-6-methylpyrimidin-4-yl]amino]pyridine-3-carboxamide?
The IUPAC name of 4-[[2-[1-[(4-ethoxy-2,6-difluorophenyl)methyl]indazol-3-yl]-6-methylpyrimidin-4-yl]amino]pyridine-3-carboxamide (CID 118962701) is 4-[[2-[1-[(4-ethoxy-2,6-difluorophenyl)methyl]indazol-3-yl]-6-methylpyrimidin-4-yl]amino]pyridine-3-carboxamide.
What is the SMILES notation for 4-[[2-[1-[(4-ethoxy-2,6-difluorophenyl)methyl]indazol-3-yl]-6-methylpyrimidin-4-yl]amino]pyridine-3-carboxamide?
The canonical SMILES for 4-[[2-[1-[(4-ethoxy-2,6-difluorophenyl)methyl]indazol-3-yl]-6-methylpyrimidin-4-yl]amino]pyridine-3-carboxamide is CCOc1cc(F)c(Cn2nc(-c3nc(C)cc(Nc4ccncc4C(N)=O)n3)c3ccccc32)c(F)c1.
What is the InChIKey of 4-[[2-[1-[(4-ethoxy-2,6-difluorophenyl)methyl]indazol-3-yl]-6-methylpyrimidin-4-yl]amino]pyridine-3-carboxamide?
The InChIKey is ILPQQVZONKGVFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23F2N7O2/c1-3-38-16-11-20(28)19(21(29)12-16)14-36-23-7-5-4-6-17(23)25(35-36)27-32-15(2)10-24(34-27)33-22-8-9-31-13-18(22)26(30)37/h4-13H,3,14H2,1-2H3,(H2,30,37)(H,31,32,33,34).
What are the key properties of 4-[[2-[1-[(4-ethoxy-2,6-difluorophenyl)methyl]indazol-3-yl]-6-methylpyrimidin-4-yl]amino]pyridine-3-carboxamide?
4-[[2-[1-[(4-ethoxy-2,6-difluorophenyl)methyl]indazol-3-yl]-6-methylpyrimidin-4-yl]amino]pyridine-3-carboxamide has a molecular weight of 515.52 g/mol, XLogP of 4.76, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[1-[(4-ethoxy-2,6-difluorophenyl)methyl]indazol-3-yl]-6-methylpyrimidin-4-yl]amino]pyridine-3-carboxamide is sourced from PubChem (CID 118962701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).