4-methoxy-6-(2-methyl-5-propan-2-ylphenyl)-2-(5-propan-2-yl-1H-indazol-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

C28H33N5O — CID 71240546

IUPAC4-methoxy-6-(2-methyl-5-propan-2-ylphenyl)-2-(5-propan-2-yl-1H-indazol-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCOc1nc(-c2c(C(C)C)ccc3[nH]ncc23)nc2c1CN(c1cc(C(C)C)ccc1C)CC2
InChIInChI=1S/C28H33N5O/c1-16(2)19-8-7-18(5)25(13-19)33-12-11-23-22(15-33)28(34-6)31-27(30-23)26-20(17(3)4)9-10-24-21(26)14-29-32-24/h7-10,13-14,16-17H,11-12,15H2,1-6H3,(H,29,32)
InChIKeyDMMDBSNLYKWDHO-UHFFFAOYSA-N
MW455.61 g/mol
LogP6.15
Rot. Bonds5

About 4-methoxy-6-(2-methyl-5-propan-2-ylphenyl)-2-(5-propan-2-yl-1H-indazol-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

4-methoxy-6-(2-methyl-5-propan-2-ylphenyl)-2-(5-propan-2-yl-1H-indazol-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 71240546) has the molecular formula C28H33N5O and a molecular weight of 455.61 g/mol. Its IUPAC name is 4-methoxy-6-(2-methyl-5-propan-2-ylphenyl)-2-(5-propan-2-yl-1H-indazol-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name4-methoxy-6-(2-methyl-5-propan-2-ylphenyl)-2-(5-propan-2-yl-1H-indazol-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
PubChem CID71240546
Molecular FormulaC28H33N5O
Molecular Weight455.61 g/mol
Exact Mass455.27
IUPAC Name4-methoxy-6-(2-methyl-5-propan-2-ylphenyl)-2-(5-propan-2-yl-1H-indazol-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCOc1nc(-c2c(C(C)C)ccc3[nH]ncc23)nc2c1CN(c1cc(C(C)C)ccc1C)CC2
InChIInChI=1S/C28H33N5O/c1-16(2)19-8-7-18(5)25(13-19)33-12-11-23-22(15-33)28(34-6)31-27(30-23)26-20(17(3)4)9-10-24-21(26)14-29-32-24/h7-10,13-14,16-17H,11-12,15H2,1-6H3,(H,29,32)
InChIKeyDMMDBSNLYKWDHO-UHFFFAOYSA-N
XLogP6.15
TPSA66.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.61
LogP ≤ 56.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-6-(2-methyl-5-propan-2-ylphenyl)-2-(5-propan-2-yl-1H-indazol-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The IUPAC name of 4-methoxy-6-(2-methyl-5-propan-2-ylphenyl)-2-(5-propan-2-yl-1H-indazol-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 71240546) is 4-methoxy-6-(2-methyl-5-propan-2-ylphenyl)-2-(5-propan-2-yl-1H-indazol-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.
What is the SMILES notation for 4-methoxy-6-(2-methyl-5-propan-2-ylphenyl)-2-(5-propan-2-yl-1H-indazol-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The canonical SMILES for 4-methoxy-6-(2-methyl-5-propan-2-ylphenyl)-2-(5-propan-2-yl-1H-indazol-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is COc1nc(-c2c(C(C)C)ccc3[nH]ncc23)nc2c1CN(c1cc(C(C)C)ccc1C)CC2.
What is the InChIKey of 4-methoxy-6-(2-methyl-5-propan-2-ylphenyl)-2-(5-propan-2-yl-1H-indazol-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The InChIKey is DMMDBSNLYKWDHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N5O/c1-16(2)19-8-7-18(5)25(13-19)33-12-11-23-22(15-33)28(34-6)31-27(30-23)26-20(17(3)4)9-10-24-21(26)14-29-32-24/h7-10,13-14,16-17H,11-12,15H2,1-6H3,(H,29,32).
What are the key properties of 4-methoxy-6-(2-methyl-5-propan-2-ylphenyl)-2-(5-propan-2-yl-1H-indazol-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
4-methoxy-6-(2-methyl-5-propan-2-ylphenyl)-2-(5-propan-2-yl-1H-indazol-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 455.61 g/mol, XLogP of 6.15, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-6-(2-methyl-5-propan-2-ylphenyl)-2-(5-propan-2-yl-1H-indazol-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 71240546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).