ethyl 2-(2-amino-3-pyridinyl)-5-fluoro-6-[5-methyl-1-(oxan-2-yl)indazol-4-yl]pyrimidine-4-carboxylate

C25H25FN6O3 — CID 170346567

IUPACethyl 2-(2-amino-3-pyridinyl)-5-fluoro-6-[5-methyl-1-(oxan-2-yl)indazol-4-yl]pyrimidine-4-carboxylate
SMILESCCOC(=O)c1nc(-c2cccnc2N)nc(-c2c(C)ccc3c2cnn3C2CCCCO2)c1F
InChIInChI=1S/C25H25FN6O3/c1-3-34-25(33)22-20(26)21(30-24(31-22)15-7-6-11-28-23(15)27)19-14(2)9-10-17-16(19)13-29-32(17)18-8-4-5-12-35-18/h6-7,9-11,13,18H,3-5,8,12H2,1-2H3,(H2,27,28)
InChIKeyMGZBJDGTQPFWAL-UHFFFAOYSA-N
MW476.51 g/mol
LogP4.46
Rot. Bonds5

About ethyl 2-(2-amino-3-pyridinyl)-5-fluoro-6-[5-methyl-1-(oxan-2-yl)indazol-4-yl]pyrimidine-4-carboxylate

ethyl 2-(2-amino-3-pyridinyl)-5-fluoro-6-[5-methyl-1-(oxan-2-yl)indazol-4-yl]pyrimidine-4-carboxylate (PubChem CID 170346567) has the molecular formula C25H25FN6O3 and a molecular weight of 476.51 g/mol. Its IUPAC name is ethyl 2-(2-amino-3-pyridinyl)-5-fluoro-6-[5-methyl-1-(oxan-2-yl)indazol-4-yl]pyrimidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-(2-amino-3-pyridinyl)-5-fluoro-6-[5-methyl-1-(oxan-2-yl)indazol-4-yl]pyrimidine-4-carboxylate
PubChem CID170346567
Molecular FormulaC25H25FN6O3
Molecular Weight476.51 g/mol
Exact Mass476.20
IUPAC Nameethyl 2-(2-amino-3-pyridinyl)-5-fluoro-6-[5-methyl-1-(oxan-2-yl)indazol-4-yl]pyrimidine-4-carboxylate
SMILESCCOC(=O)c1nc(-c2cccnc2N)nc(-c2c(C)ccc3c2cnn3C2CCCCO2)c1F
InChIInChI=1S/C25H25FN6O3/c1-3-34-25(33)22-20(26)21(30-24(31-22)15-7-6-11-28-23(15)27)19-14(2)9-10-17-16(19)13-29-32(17)18-8-4-5-12-35-18/h6-7,9-11,13,18H,3-5,8,12H2,1-2H3,(H2,27,28)
InChIKeyMGZBJDGTQPFWAL-UHFFFAOYSA-N
XLogP4.46
TPSA118.04 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.51
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze ethyl 2-(2-amino-3-pyridinyl)-5-fluoro-6-[5-methyl-1-(oxan-2-yl)indazol-4-yl]pyrimidine-4-carboxylate with MolForge

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Related Compounds

methyl 2-(2-amino-3-pyridinyl)-5-methoxy-6-[5-methyl-1-(oxan-2-yl)indazol-4-yl]pyrimidine-4-carboxylate
CID 170346549
ethyl 3-[bis[(4-methoxyphenyl)methyl]amino]-2-chloro-5-fluoro-6-[5-methyl-1-(oxan-2-yl)indazol-4-yl]pyridine-4-carboxylate
CID 170346649
5-amino-2-[6-fluoro-2-[(5-fluoro-2-methylpyrimidin-4-yl)amino]-3-pyridinyl]-6-[5-methyl-1-(oxan-2-yl)indazol-4-yl]pyrimidine-4-carboxamide
CID 170346755
4-bromo-5-ethoxy-6-methyl-1-(oxan-2-yl)indazole;methanol
CID 171613304
2-fluoro-6-methoxyphenol;5-methyl-1-(oxan-2-yl)indazol-4-ol
CID 175183046
4-bromo-5-methyl-1-(oxan-2-yl)indazole
CID 71307646
7-[5-methyl-1-(oxan-2-yl)indazol-4-yl]pyrido[4,3-d]pyrimidine
CID 175883643
ethyl 3-iodo-1-(oxan-2-yl)indazole-5-carboxylate
CID 165127694
4-chloro-1-[(2R)-oxan-2-yl]pyrazolo[4,5-c]pyridine
CID 129373246
ethyl 7-hydroxy-1-(oxan-2-yl)indazole-5-carboxylate
CID 66920492
6-ethyl-1-(oxan-2-yl)indazol-4-amine
CID 175161622
ethyl 4-[2-(oxan-2-yl)pyrazol-3-yl]benzoate
CID 135072205

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-amino-3-pyridinyl)-5-fluoro-6-[5-methyl-1-(oxan-2-yl)indazol-4-yl]pyrimidine-4-carboxylate?
The IUPAC name of ethyl 2-(2-amino-3-pyridinyl)-5-fluoro-6-[5-methyl-1-(oxan-2-yl)indazol-4-yl]pyrimidine-4-carboxylate (CID 170346567) is ethyl 2-(2-amino-3-pyridinyl)-5-fluoro-6-[5-methyl-1-(oxan-2-yl)indazol-4-yl]pyrimidine-4-carboxylate.
What is the SMILES notation for ethyl 2-(2-amino-3-pyridinyl)-5-fluoro-6-[5-methyl-1-(oxan-2-yl)indazol-4-yl]pyrimidine-4-carboxylate?
The canonical SMILES for ethyl 2-(2-amino-3-pyridinyl)-5-fluoro-6-[5-methyl-1-(oxan-2-yl)indazol-4-yl]pyrimidine-4-carboxylate is CCOC(=O)c1nc(-c2cccnc2N)nc(-c2c(C)ccc3c2cnn3C2CCCCO2)c1F.
What is the InChIKey of ethyl 2-(2-amino-3-pyridinyl)-5-fluoro-6-[5-methyl-1-(oxan-2-yl)indazol-4-yl]pyrimidine-4-carboxylate?
The InChIKey is MGZBJDGTQPFWAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN6O3/c1-3-34-25(33)22-20(26)21(30-24(31-22)15-7-6-11-28-23(15)27)19-14(2)9-10-17-16(19)13-29-32(17)18-8-4-5-12-35-18/h6-7,9-11,13,18H,3-5,8,12H2,1-2H3,(H2,27,28).
What are the key properties of ethyl 2-(2-amino-3-pyridinyl)-5-fluoro-6-[5-methyl-1-(oxan-2-yl)indazol-4-yl]pyrimidine-4-carboxylate?
ethyl 2-(2-amino-3-pyridinyl)-5-fluoro-6-[5-methyl-1-(oxan-2-yl)indazol-4-yl]pyrimidine-4-carboxylate has a molecular weight of 476.51 g/mol, XLogP of 4.46, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-amino-3-pyridinyl)-5-fluoro-6-[5-methyl-1-(oxan-2-yl)indazol-4-yl]pyrimidine-4-carboxylate is sourced from PubChem (CID 170346567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).