2-[4-pyrazin-2-yl-1,7-dipyridin-2-yl-5-pyrimidin-2-yl-6-(1H-pyrrol-2-yl)-2-quinolin-2-yl-2H-quinazolin-8-yl]-1,3-oxazole

C42H27N11O — CID 141361411

IUPAC2-[4-pyrazin-2-yl-1,7-dipyridin-2-yl-5-pyrimidin-2-yl-6-(1H-pyrrol-2-yl)-2-quinolin-2-yl-2H-quinazolin-8-yl]-1,3-oxazole
SMILESc1ccc(-c2c(-c3ccc[nH]3)c(-c3ncccn3)c3c(c2-c2ncco2)N(c2ccccn2)C(c2ccc4ccccc4n2)N=C3c2cnccn2)nc1
InChIInChI=1S/C42H27N11O/c1-2-10-27-26(9-1)14-15-30(51-27)41-52-38(31-25-43-21-22-46-31)36-35(40-48-19-8-20-49-40)33(29-12-7-18-45-29)34(28-11-3-5-16-44-28)37(42-50-23-24-54-42)39(36)53(41)32-13-4-6-17-47-32/h1-25,41,45H
InChIKeyMXJFTARSIQEEKZ-UHFFFAOYSA-N
MW701.75 g/mol
LogP8.28
Rot. Bonds7

About 2-[4-pyrazin-2-yl-1,7-dipyridin-2-yl-5-pyrimidin-2-yl-6-(1H-pyrrol-2-yl)-2-quinolin-2-yl-2H-quinazolin-8-yl]-1,3-oxazole

2-[4-pyrazin-2-yl-1,7-dipyridin-2-yl-5-pyrimidin-2-yl-6-(1H-pyrrol-2-yl)-2-quinolin-2-yl-2H-quinazolin-8-yl]-1,3-oxazole (PubChem CID 141361411) has the molecular formula C42H27N11O and a molecular weight of 701.75 g/mol. Its IUPAC name is 2-[4-pyrazin-2-yl-1,7-dipyridin-2-yl-5-pyrimidin-2-yl-6-(1H-pyrrol-2-yl)-2-quinolin-2-yl-2H-quinazolin-8-yl]-1,3-oxazole.

Molecular Properties

Compound Name2-[4-pyrazin-2-yl-1,7-dipyridin-2-yl-5-pyrimidin-2-yl-6-(1H-pyrrol-2-yl)-2-quinolin-2-yl-2H-quinazolin-8-yl]-1,3-oxazole
PubChem CID141361411
Molecular FormulaC42H27N11O
Molecular Weight701.75 g/mol
Exact Mass701.24
IUPAC Name2-[4-pyrazin-2-yl-1,7-dipyridin-2-yl-5-pyrimidin-2-yl-6-(1H-pyrrol-2-yl)-2-quinolin-2-yl-2H-quinazolin-8-yl]-1,3-oxazole
SMILESc1ccc(-c2c(-c3ccc[nH]3)c(-c3ncccn3)c3c(c2-c2ncco2)N(c2ccccn2)C(c2ccc4ccccc4n2)N=C3c2cnccn2)nc1
InChIInChI=1S/C42H27N11O/c1-2-10-27-26(9-1)14-15-30(51-27)41-52-38(31-25-43-21-22-46-31)36-35(40-48-19-8-20-49-40)33(29-12-7-18-45-29)34(28-11-3-5-16-44-28)37(42-50-23-24-54-42)39(36)53(41)32-13-4-6-17-47-32/h1-25,41,45H
InChIKeyMXJFTARSIQEEKZ-UHFFFAOYSA-N
XLogP8.28
TPSA147.65 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds7
Heavy Atoms54
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500701.75
LogP ≤ 58.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Analyze 2-[4-pyrazin-2-yl-1,7-dipyridin-2-yl-5-pyrimidin-2-yl-6-(1H-pyrrol-2-yl)-2-quinolin-2-yl-2H-quinazolin-8-yl]-1,3-oxazole with MolForge

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Related Compounds

2-(1H-Indol-4-yl)-4,8-di-morpholin-4-yl-pyrido[3',2':4,5]furo[3,2-d]pyrimidine
CID 50991007
3-{4-[2-(1H-Indol-4-yl)-4-morpholin-4-yl-pyrido[3',2':4,5]furo[3,2-d]pyrimidin-8-ylmethyl]-piperazin-1-yl}-propionitrile
CID 50991102
2,8-Bis-(1H-indol-4-yl)-4-morpholin-4-yl-pyrido[3',2':4,5]furo[3,2-d]pyrimidine
CID 50992289
US9580442, Example F
CID 50992290
US9580442, Example J
CID 50992384
(Z)-4-[4-(1H-indol-4-yl)-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-12-yl]-1-(4-methylpiperazin-1-yl)but-3-en-1-one
CID 145996407
N-[4-methyl-3-[[4-[5-(1,3-oxazol-2-yl)-3-pyridinyl]pyrimidin-2-yl]amino]phenyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide
CID 168489975
11-[(4-methylpiperazin-1-yl)methyl]-6-morpholin-4-yl-4-[6-(trifluoromethyl)-1H-indol-4-yl]-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 58508311
4-(5-fluoro-1H-indol-4-yl)-6,12-dimorpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 126621940
3-amino-N-[(5-fluoropyrimidin-2-yl)methyl]-5-(1,3-oxazol-2-yl)-6-quinolin-6-ylpyrazine-2-carboxamide
CID 154604615
3-amino-5-(1,3-oxazol-2-yl)-6-quinolin-6-yl-N-[[4-(trifluoromethyl)pyrimidin-2-yl]methyl]pyrazine-2-carboxamide
CID 154604707
3-amino-N-[[1-(2,2-difluoroethyl)imidazol-2-yl]methyl]-5-(1,3-oxazol-2-yl)-6-quinolin-6-ylpyrazine-2-carboxamide
CID 154658014

Frequently Asked Questions

What is the IUPAC name of 2-[4-pyrazin-2-yl-1,7-dipyridin-2-yl-5-pyrimidin-2-yl-6-(1H-pyrrol-2-yl)-2-quinolin-2-yl-2H-quinazolin-8-yl]-1,3-oxazole?
The IUPAC name of 2-[4-pyrazin-2-yl-1,7-dipyridin-2-yl-5-pyrimidin-2-yl-6-(1H-pyrrol-2-yl)-2-quinolin-2-yl-2H-quinazolin-8-yl]-1,3-oxazole (CID 141361411) is 2-[4-pyrazin-2-yl-1,7-dipyridin-2-yl-5-pyrimidin-2-yl-6-(1H-pyrrol-2-yl)-2-quinolin-2-yl-2H-quinazolin-8-yl]-1,3-oxazole.
What is the SMILES notation for 2-[4-pyrazin-2-yl-1,7-dipyridin-2-yl-5-pyrimidin-2-yl-6-(1H-pyrrol-2-yl)-2-quinolin-2-yl-2H-quinazolin-8-yl]-1,3-oxazole?
The canonical SMILES for 2-[4-pyrazin-2-yl-1,7-dipyridin-2-yl-5-pyrimidin-2-yl-6-(1H-pyrrol-2-yl)-2-quinolin-2-yl-2H-quinazolin-8-yl]-1,3-oxazole is c1ccc(-c2c(-c3ccc[nH]3)c(-c3ncccn3)c3c(c2-c2ncco2)N(c2ccccn2)C(c2ccc4ccccc4n2)N=C3c2cnccn2)nc1.
What is the InChIKey of 2-[4-pyrazin-2-yl-1,7-dipyridin-2-yl-5-pyrimidin-2-yl-6-(1H-pyrrol-2-yl)-2-quinolin-2-yl-2H-quinazolin-8-yl]-1,3-oxazole?
The InChIKey is MXJFTARSIQEEKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H27N11O/c1-2-10-27-26(9-1)14-15-30(51-27)41-52-38(31-25-43-21-22-46-31)36-35(40-48-19-8-20-49-40)33(29-12-7-18-45-29)34(28-11-3-5-16-44-28)37(42-50-23-24-54-42)39(36)53(41)32-13-4-6-17-47-32/h1-25,41,45H.
What are the key properties of 2-[4-pyrazin-2-yl-1,7-dipyridin-2-yl-5-pyrimidin-2-yl-6-(1H-pyrrol-2-yl)-2-quinolin-2-yl-2H-quinazolin-8-yl]-1,3-oxazole?
2-[4-pyrazin-2-yl-1,7-dipyridin-2-yl-5-pyrimidin-2-yl-6-(1H-pyrrol-2-yl)-2-quinolin-2-yl-2H-quinazolin-8-yl]-1,3-oxazole has a molecular weight of 701.75 g/mol, XLogP of 8.28, 7 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-pyrazin-2-yl-1,7-dipyridin-2-yl-5-pyrimidin-2-yl-6-(1H-pyrrol-2-yl)-2-quinolin-2-yl-2H-quinazolin-8-yl]-1,3-oxazole is sourced from PubChem (CID 141361411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).