2-(3,5-dimethyl-2H-indazol-4-yl)-4-methoxy-6-[2-methyl-5-(3-methyloxetan-3-yl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

C28H31N5O2 — CID 71240731

IUPAC2-(3,5-dimethyl-2H-indazol-4-yl)-4-methoxy-6-[2-methyl-5-(3-methyloxetan-3-yl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCOc1nc(-c2c(C)ccc3n[nH]c(C)c23)nc2c1CN(c1cc(C3(C)COC3)ccc1C)CC2
InChIInChI=1S/C28H31N5O2/c1-16-6-8-19(28(4)14-35-15-28)12-23(16)33-11-10-21-20(13-33)27(34-5)30-26(29-21)24-17(2)7-9-22-25(24)18(3)31-32-22/h6-9,12H,10-11,13-15H2,1-5H3,(H,31,32)
InChIKeyVXTBDZFZRKVKBX-UHFFFAOYSA-N
MW469.59 g/mol
LogP4.80
Rot. Bonds4

About 2-(3,5-dimethyl-2H-indazol-4-yl)-4-methoxy-6-[2-methyl-5-(3-methyloxetan-3-yl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

2-(3,5-dimethyl-2H-indazol-4-yl)-4-methoxy-6-[2-methyl-5-(3-methyloxetan-3-yl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 71240731) has the molecular formula C28H31N5O2 and a molecular weight of 469.59 g/mol. Its IUPAC name is 2-(3,5-dimethyl-2H-indazol-4-yl)-4-methoxy-6-[2-methyl-5-(3-methyloxetan-3-yl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name2-(3,5-dimethyl-2H-indazol-4-yl)-4-methoxy-6-[2-methyl-5-(3-methyloxetan-3-yl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
PubChem CID71240731
Molecular FormulaC28H31N5O2
Molecular Weight469.59 g/mol
Exact Mass469.25
IUPAC Name2-(3,5-dimethyl-2H-indazol-4-yl)-4-methoxy-6-[2-methyl-5-(3-methyloxetan-3-yl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCOc1nc(-c2c(C)ccc3n[nH]c(C)c23)nc2c1CN(c1cc(C3(C)COC3)ccc1C)CC2
InChIInChI=1S/C28H31N5O2/c1-16-6-8-19(28(4)14-35-15-28)12-23(16)33-11-10-21-20(13-33)27(34-5)30-26(29-21)24-17(2)7-9-22-25(24)18(3)31-32-22/h6-9,12H,10-11,13-15H2,1-5H3,(H,31,32)
InChIKeyVXTBDZFZRKVKBX-UHFFFAOYSA-N
XLogP4.80
TPSA76.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.59
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(3,5-dimethyl-2H-indazol-4-yl)-4-methoxy-6-[2-methyl-5-(3-methyloxetan-3-yl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-2H-indazol-4-yl)-4-methoxy-6-[2-methyl-5-(3-methyloxetan-3-yl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The IUPAC name of 2-(3,5-dimethyl-2H-indazol-4-yl)-4-methoxy-6-[2-methyl-5-(3-methyloxetan-3-yl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 71240731) is 2-(3,5-dimethyl-2H-indazol-4-yl)-4-methoxy-6-[2-methyl-5-(3-methyloxetan-3-yl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.
What is the SMILES notation for 2-(3,5-dimethyl-2H-indazol-4-yl)-4-methoxy-6-[2-methyl-5-(3-methyloxetan-3-yl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The canonical SMILES for 2-(3,5-dimethyl-2H-indazol-4-yl)-4-methoxy-6-[2-methyl-5-(3-methyloxetan-3-yl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is COc1nc(-c2c(C)ccc3n[nH]c(C)c23)nc2c1CN(c1cc(C3(C)COC3)ccc1C)CC2.
What is the InChIKey of 2-(3,5-dimethyl-2H-indazol-4-yl)-4-methoxy-6-[2-methyl-5-(3-methyloxetan-3-yl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The InChIKey is VXTBDZFZRKVKBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N5O2/c1-16-6-8-19(28(4)14-35-15-28)12-23(16)33-11-10-21-20(13-33)27(34-5)30-26(29-21)24-17(2)7-9-22-25(24)18(3)31-32-22/h6-9,12H,10-11,13-15H2,1-5H3,(H,31,32).
What are the key properties of 2-(3,5-dimethyl-2H-indazol-4-yl)-4-methoxy-6-[2-methyl-5-(3-methyloxetan-3-yl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
2-(3,5-dimethyl-2H-indazol-4-yl)-4-methoxy-6-[2-methyl-5-(3-methyloxetan-3-yl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 469.59 g/mol, XLogP of 4.80, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-2H-indazol-4-yl)-4-methoxy-6-[2-methyl-5-(3-methyloxetan-3-yl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 71240731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).