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

C27H31N5O — CID 71240675

IUPAC2-(3,5-dimethyl-2H-indazol-4-yl)-4-methoxy-6-(2-methyl-5-propan-2-ylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCOc1nc(-c2c(C)ccc3n[nH]c(C)c23)nc2c1CN(c1cc(C(C)C)ccc1C)CC2
InChIInChI=1S/C27H31N5O/c1-15(2)19-9-7-16(3)23(13-19)32-12-11-21-20(14-32)27(33-6)29-26(28-21)24-17(4)8-10-22-25(24)18(5)30-31-22/h7-10,13,15H,11-12,14H2,1-6H3,(H,30,31)
InChIKeyFUMRXBHEEBIIAT-UHFFFAOYSA-N
MW441.58 g/mol
LogP5.64
Rot. Bonds4

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

2-(3,5-dimethyl-2H-indazol-4-yl)-4-methoxy-6-(2-methyl-5-propan-2-ylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 71240675) has the molecular formula C27H31N5O and a molecular weight of 441.58 g/mol. Its IUPAC name is 2-(3,5-dimethyl-2H-indazol-4-yl)-4-methoxy-6-(2-methyl-5-propan-2-ylphenyl)-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-propan-2-ylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
PubChem CID71240675
Molecular FormulaC27H31N5O
Molecular Weight441.58 g/mol
Exact Mass441.25
IUPAC Name2-(3,5-dimethyl-2H-indazol-4-yl)-4-methoxy-6-(2-methyl-5-propan-2-ylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCOc1nc(-c2c(C)ccc3n[nH]c(C)c23)nc2c1CN(c1cc(C(C)C)ccc1C)CC2
InChIInChI=1S/C27H31N5O/c1-15(2)19-9-7-16(3)23(13-19)32-12-11-21-20(14-32)27(33-6)29-26(28-21)24-17(4)8-10-22-25(24)18(5)30-31-22/h7-10,13,15H,11-12,14H2,1-6H3,(H,30,31)
InChIKeyFUMRXBHEEBIIAT-UHFFFAOYSA-N
XLogP5.64
TPSA66.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.58
LogP ≤ 55.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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-propan-2-ylphenyl)-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-propan-2-ylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 71240675) is 2-(3,5-dimethyl-2H-indazol-4-yl)-4-methoxy-6-(2-methyl-5-propan-2-ylphenyl)-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-propan-2-ylphenyl)-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-propan-2-ylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is COc1nc(-c2c(C)ccc3n[nH]c(C)c23)nc2c1CN(c1cc(C(C)C)ccc1C)CC2.
What is the InChIKey of 2-(3,5-dimethyl-2H-indazol-4-yl)-4-methoxy-6-(2-methyl-5-propan-2-ylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The InChIKey is FUMRXBHEEBIIAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N5O/c1-15(2)19-9-7-16(3)23(13-19)32-12-11-21-20(14-32)27(33-6)29-26(28-21)24-17(4)8-10-22-25(24)18(5)30-31-22/h7-10,13,15H,11-12,14H2,1-6H3,(H,30,31).
What are the key properties of 2-(3,5-dimethyl-2H-indazol-4-yl)-4-methoxy-6-(2-methyl-5-propan-2-ylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
2-(3,5-dimethyl-2H-indazol-4-yl)-4-methoxy-6-(2-methyl-5-propan-2-ylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 441.58 g/mol, XLogP of 5.64, 4 rotatable bonds, 1 hydrogen bond donors, and 5 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-propan-2-ylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 71240675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).