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

C25H26N6O4 — CID 170346549

IUPACmethyl 2-(2-amino-3-pyridinyl)-5-methoxy-6-[5-methyl-1-(oxan-2-yl)indazol-4-yl]pyrimidine-4-carboxylate
SMILESCOC(=O)c1nc(-c2cccnc2N)nc(-c2c(C)ccc3c2cnn3C2CCCCO2)c1OC
InChIInChI=1S/C25H26N6O4/c1-14-9-10-17-16(13-28-31(17)18-8-4-5-12-35-18)19(14)20-22(33-2)21(25(32)34-3)30-24(29-20)15-7-6-11-27-23(15)26/h6-7,9-11,13,18H,4-5,8,12H2,1-3H3,(H2,26,27)
InChIKeyIMNBJAKMPHGTBR-UHFFFAOYSA-N
MW474.52 g/mol
LogP3.94
Rot. Bonds5

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

methyl 2-(2-amino-3-pyridinyl)-5-methoxy-6-[5-methyl-1-(oxan-2-yl)indazol-4-yl]pyrimidine-4-carboxylate (PubChem CID 170346549) has the molecular formula C25H26N6O4 and a molecular weight of 474.52 g/mol. Its IUPAC name is methyl 2-(2-amino-3-pyridinyl)-5-methoxy-6-[5-methyl-1-(oxan-2-yl)indazol-4-yl]pyrimidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-(2-amino-3-pyridinyl)-5-methoxy-6-[5-methyl-1-(oxan-2-yl)indazol-4-yl]pyrimidine-4-carboxylate
PubChem CID170346549
Molecular FormulaC25H26N6O4
Molecular Weight474.52 g/mol
Exact Mass474.20
IUPAC Namemethyl 2-(2-amino-3-pyridinyl)-5-methoxy-6-[5-methyl-1-(oxan-2-yl)indazol-4-yl]pyrimidine-4-carboxylate
SMILESCOC(=O)c1nc(-c2cccnc2N)nc(-c2c(C)ccc3c2cnn3C2CCCCO2)c1OC
InChIInChI=1S/C25H26N6O4/c1-14-9-10-17-16(13-28-31(17)18-8-4-5-12-35-18)19(14)20-22(33-2)21(25(32)34-3)30-24(29-20)15-7-6-11-27-23(15)26/h6-7,9-11,13,18H,4-5,8,12H2,1-3H3,(H2,26,27)
InChIKeyIMNBJAKMPHGTBR-UHFFFAOYSA-N
XLogP3.94
TPSA127.27 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.52
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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

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Launch Full Analysis

Related Compounds

ethyl 2-(2-amino-3-pyridinyl)-5-fluoro-6-[5-methyl-1-(oxan-2-yl)indazol-4-yl]pyrimidine-4-carboxylate
CID 170346567
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
2-fluoro-6-methoxyphenol;5-methyl-1-(oxan-2-yl)indazol-4-ol
CID 175183046
3-methyl-4-[5-methyl-1-(oxan-2-yl)indazol-4-yl]-1-oxidoquinolin-1-ium
CID 170548642
4-bromo-5-methyl-1-(oxan-2-yl)indazole
CID 71307646
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
methyl 2-amino-5-chloro-3-[1-(oxan-2-yl)indazol-4-yl]oxybenzoate
CID 139345951
7-[5-methyl-1-(oxan-2-yl)indazol-4-yl]pyrido[4,3-d]pyrimidine
CID 175883643
4-chloro-1-[(2R)-oxan-2-yl]pyrazolo[4,5-c]pyridine
CID 129373246
4-bromo-5-ethoxy-6-methyl-1-(oxan-2-yl)indazole;methanol
CID 171613304
tert-butyl 7-[7-methyl-4-[5-methyl-1-(oxan-2-yl)indazol-4-yl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl]-2,7-diazaspiro[3.4]octane-2-carboxylate
CID 170548477
7-bromo-5-[5-methyl-1-(oxan-2-yl)indazol-4-yl]oxyquinazolin-4-amine
CID 177195504

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-amino-3-pyridinyl)-5-methoxy-6-[5-methyl-1-(oxan-2-yl)indazol-4-yl]pyrimidine-4-carboxylate?
The IUPAC name of methyl 2-(2-amino-3-pyridinyl)-5-methoxy-6-[5-methyl-1-(oxan-2-yl)indazol-4-yl]pyrimidine-4-carboxylate (CID 170346549) is methyl 2-(2-amino-3-pyridinyl)-5-methoxy-6-[5-methyl-1-(oxan-2-yl)indazol-4-yl]pyrimidine-4-carboxylate.
What is the SMILES notation for methyl 2-(2-amino-3-pyridinyl)-5-methoxy-6-[5-methyl-1-(oxan-2-yl)indazol-4-yl]pyrimidine-4-carboxylate?
The canonical SMILES for methyl 2-(2-amino-3-pyridinyl)-5-methoxy-6-[5-methyl-1-(oxan-2-yl)indazol-4-yl]pyrimidine-4-carboxylate is COC(=O)c1nc(-c2cccnc2N)nc(-c2c(C)ccc3c2cnn3C2CCCCO2)c1OC.
What is the InChIKey of methyl 2-(2-amino-3-pyridinyl)-5-methoxy-6-[5-methyl-1-(oxan-2-yl)indazol-4-yl]pyrimidine-4-carboxylate?
The InChIKey is IMNBJAKMPHGTBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N6O4/c1-14-9-10-17-16(13-28-31(17)18-8-4-5-12-35-18)19(14)20-22(33-2)21(25(32)34-3)30-24(29-20)15-7-6-11-27-23(15)26/h6-7,9-11,13,18H,4-5,8,12H2,1-3H3,(H2,26,27).
What are the key properties of methyl 2-(2-amino-3-pyridinyl)-5-methoxy-6-[5-methyl-1-(oxan-2-yl)indazol-4-yl]pyrimidine-4-carboxylate?
methyl 2-(2-amino-3-pyridinyl)-5-methoxy-6-[5-methyl-1-(oxan-2-yl)indazol-4-yl]pyrimidine-4-carboxylate has a molecular weight of 474.52 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-amino-3-pyridinyl)-5-methoxy-6-[5-methyl-1-(oxan-2-yl)indazol-4-yl]pyrimidine-4-carboxylate is sourced from PubChem (CID 170346549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).