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

C32H39N7O — CID 71240518

IUPAC1-[2-methyl-4-[2-(5-methyl-1H-indazol-4-yl)-6-(2-methyl-5-propan-2-ylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2nc(-c3c(C)ccc4[nH]ncc34)nc3c2CN(c2cc(C(C)C)ccc2C)CC3)CC1C
InChIInChI=1S/C32H39N7O/c1-19(2)24-9-7-20(3)29(15-24)37-12-11-27-26(18-37)32(38-13-14-39(23(6)40)22(5)17-38)35-31(34-27)30-21(4)8-10-28-25(30)16-33-36-28/h7-10,15-16,19,22H,11-14,17-18H2,1-6H3,(H,33,36)
InChIKeyYWGUPOPDZHZCRZ-UHFFFAOYSA-N
MW537.71 g/mol
LogP5.38
Rot. Bonds4

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

1-[2-methyl-4-[2-(5-methyl-1H-indazol-4-yl)-6-(2-methyl-5-propan-2-ylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperazin-1-yl]ethanone (PubChem CID 71240518) has the molecular formula C32H39N7O and a molecular weight of 537.71 g/mol. Its IUPAC name is 1-[2-methyl-4-[2-(5-methyl-1H-indazol-4-yl)-6-(2-methyl-5-propan-2-ylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[2-methyl-4-[2-(5-methyl-1H-indazol-4-yl)-6-(2-methyl-5-propan-2-ylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperazin-1-yl]ethanone
PubChem CID71240518
Molecular FormulaC32H39N7O
Molecular Weight537.71 g/mol
Exact Mass537.32
IUPAC Name1-[2-methyl-4-[2-(5-methyl-1H-indazol-4-yl)-6-(2-methyl-5-propan-2-ylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2nc(-c3c(C)ccc4[nH]ncc34)nc3c2CN(c2cc(C(C)C)ccc2C)CC3)CC1C
InChIInChI=1S/C32H39N7O/c1-19(2)24-9-7-20(3)29(15-24)37-12-11-27-26(18-37)32(38-13-14-39(23(6)40)22(5)17-38)35-31(34-27)30-21(4)8-10-28-25(30)16-33-36-28/h7-10,15-16,19,22H,11-14,17-18H2,1-6H3,(H,33,36)
InChIKeyYWGUPOPDZHZCRZ-UHFFFAOYSA-N
XLogP5.38
TPSA81.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500537.71
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-methyl-4-[2-(5-methyl-1H-indazol-4-yl)-6-(2-methyl-5-propan-2-ylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[2-methyl-4-[2-(5-methyl-1H-indazol-4-yl)-6-(2-methyl-5-propan-2-ylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperazin-1-yl]ethanone (CID 71240518) is 1-[2-methyl-4-[2-(5-methyl-1H-indazol-4-yl)-6-(2-methyl-5-propan-2-ylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[2-methyl-4-[2-(5-methyl-1H-indazol-4-yl)-6-(2-methyl-5-propan-2-ylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[2-methyl-4-[2-(5-methyl-1H-indazol-4-yl)-6-(2-methyl-5-propan-2-ylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperazin-1-yl]ethanone is CC(=O)N1CCN(c2nc(-c3c(C)ccc4[nH]ncc34)nc3c2CN(c2cc(C(C)C)ccc2C)CC3)CC1C.
What is the InChIKey of 1-[2-methyl-4-[2-(5-methyl-1H-indazol-4-yl)-6-(2-methyl-5-propan-2-ylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperazin-1-yl]ethanone?
The InChIKey is YWGUPOPDZHZCRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H39N7O/c1-19(2)24-9-7-20(3)29(15-24)37-12-11-27-26(18-37)32(38-13-14-39(23(6)40)22(5)17-38)35-31(34-27)30-21(4)8-10-28-25(30)16-33-36-28/h7-10,15-16,19,22H,11-14,17-18H2,1-6H3,(H,33,36).
What are the key properties of 1-[2-methyl-4-[2-(5-methyl-1H-indazol-4-yl)-6-(2-methyl-5-propan-2-ylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperazin-1-yl]ethanone?
1-[2-methyl-4-[2-(5-methyl-1H-indazol-4-yl)-6-(2-methyl-5-propan-2-ylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperazin-1-yl]ethanone has a molecular weight of 537.71 g/mol, XLogP of 5.38, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methyl-4-[2-(5-methyl-1H-indazol-4-yl)-6-(2-methyl-5-propan-2-ylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperazin-1-yl]ethanone is sourced from PubChem (CID 71240518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).