benzene;1H-indazole;bis(4-N-(5-methyl-1H-pyrazol-3-yl)-2-N-phenylquinazoline-2,4-diamine);bis(N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine)

C73H66N24 — CID 90906918

IUPACbenzene;1H-indazole;bis(4-N-(5-methyl-1H-pyrazol-3-yl)-2-N-phenylquinazoline-2,4-diamine);bis(N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine)
SMILESCc1cc(Nc2nc(Nc3ccccc3)nc3ccccc23)n[nH]1.Cc1cc(Nc2nc(Nc3ccccc3)nc3ccccc23)n[nH]1.Cc1cc(Nc2ncnc3ccccc23)n[nH]1.Cc1cc(Nc2ncnc3ccccc23)n[nH]1.c1ccc2[nH]ncc2c1.c1ccccc1
InChIInChI=1S/2C18H16N6.2C12H11N5.C7H6N2.C6H6/c2*1-12-11-16(24-23-12)21-17-14-9-5-6-10-15(14)20-18(22-17)19-13-7-3-2-4-8-13;2*1-8-6-11(17-16-8)15-12-9-4-2-3-5-10(9)13-7-14-12;1-2-4-7-6(3-1)5-8-9-7;1-2-4-6-5-3-1/h2*2-11H,1H3,(H3,19,20,21,22,23,24);2*2-7H,1H3,(H2,13,14,15,16,17);1-5H,(H,8,9);1-6H
InChIKeyWBCASRAPBNQYJP-UHFFFAOYSA-N
MW1279.50 g/mol
LogP16.36
Rot. Bonds12

About benzene;1H-indazole;bis(4-N-(5-methyl-1H-pyrazol-3-yl)-2-N-phenylquinazoline-2,4-diamine);bis(N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine)

benzene;1H-indazole;bis(4-N-(5-methyl-1H-pyrazol-3-yl)-2-N-phenylquinazoline-2,4-diamine);bis(N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine) (PubChem CID 90906918) has the molecular formula C73H66N24 and a molecular weight of 1279.50 g/mol. Its IUPAC name is benzene;1H-indazole;bis(4-N-(5-methyl-1H-pyrazol-3-yl)-2-N-phenylquinazoline-2,4-diamine);bis(N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine).

Molecular Properties

Compound Namebenzene;1H-indazole;bis(4-N-(5-methyl-1H-pyrazol-3-yl)-2-N-phenylquinazoline-2,4-diamine);bis(N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine)
PubChem CID90906918
Molecular FormulaC73H66N24
Molecular Weight1279.50 g/mol
Exact Mass1278.59
IUPAC Namebenzene;1H-indazole;bis(4-N-(5-methyl-1H-pyrazol-3-yl)-2-N-phenylquinazoline-2,4-diamine);bis(N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine)
SMILESCc1cc(Nc2nc(Nc3ccccc3)nc3ccccc23)n[nH]1.Cc1cc(Nc2nc(Nc3ccccc3)nc3ccccc23)n[nH]1.Cc1cc(Nc2ncnc3ccccc23)n[nH]1.Cc1cc(Nc2ncnc3ccccc23)n[nH]1.c1ccc2[nH]ncc2c1.c1ccccc1
InChIInChI=1S/2C18H16N6.2C12H11N5.C7H6N2.C6H6/c2*1-12-11-16(24-23-12)21-17-14-9-5-6-10-15(14)20-18(22-17)19-13-7-3-2-4-8-13;2*1-8-6-11(17-16-8)15-12-9-4-2-3-5-10(9)13-7-14-12;1-2-4-7-6(3-1)5-8-9-7;1-2-4-6-5-3-1/h2*2-11H,1H3,(H3,19,20,21,22,23,24);2*2-7H,1H3,(H2,13,14,15,16,17);1-5H,(H,8,9);1-6H
InChIKeyWBCASRAPBNQYJP-UHFFFAOYSA-N
XLogP16.36
TPSA318.70 Ų
H-Bond Donors11
H-Bond Acceptors19
Rotatable Bonds12
Heavy Atoms97
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001279.50
LogP ≤ 516.36
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1019

Analyze benzene;1H-indazole;bis(4-N-(5-methyl-1H-pyrazol-3-yl)-2-N-phenylquinazoline-2,4-diamine);bis(N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine) with MolForge

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Related Compounds

3-(1h-Indazol-4-yl)-7-(2-methyl-4-((1s,4s)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidine
CID 49836427
7-(2-Fluoro-4-((1s,4s)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl)-3-(1h-indazol-4-yl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidine
CID 49836539
3-(1H-indazol-4-yl)-7-(4-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)naphthalen-1-yl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidine
CID 49836649
7-[2,6-difluoro-4-[(1S,4S)-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]-3-(1H-indazol-4-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
CID 49837301
4-N-(5-methyl-1H-pyrazol-3-yl)-2-N-(pyridin-3-ylmethyl)quinazoline-2,4-diamine
CID 9945436
2-(3-(1H-indazol-4-yl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl)-N,N-dimethyl-5-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)aniline
CID 49836646
7-(3-fluoro-4-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl)-3-(1H-indazol-4-yl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidine
CID 49836647
3-(1H-indazol-4-yl)-7-(3-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidine
CID 49836856
7-[4-[[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]phenyl]-3-(1H-indazol-4-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
CID 49837197
3-(1h-Indazol-4-yl)-7-(4-((1s,4s)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidine
CID 52949635
3-[4-(4-methylpiperazin-1-yl)-1H-indol-2-yl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridine
CID 137042180
N-(5-phenyl-1h-pyrazol-3-yl)-2-(4-pyridinyl)-4-quinazolinamine
CID 71295991

Frequently Asked Questions

What is the IUPAC name of benzene;1H-indazole;bis(4-N-(5-methyl-1H-pyrazol-3-yl)-2-N-phenylquinazoline-2,4-diamine);bis(N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine)?
The IUPAC name of benzene;1H-indazole;bis(4-N-(5-methyl-1H-pyrazol-3-yl)-2-N-phenylquinazoline-2,4-diamine);bis(N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine) (CID 90906918) is benzene;1H-indazole;bis(4-N-(5-methyl-1H-pyrazol-3-yl)-2-N-phenylquinazoline-2,4-diamine);bis(N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine).
What is the SMILES notation for benzene;1H-indazole;bis(4-N-(5-methyl-1H-pyrazol-3-yl)-2-N-phenylquinazoline-2,4-diamine);bis(N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine)?
The canonical SMILES for benzene;1H-indazole;bis(4-N-(5-methyl-1H-pyrazol-3-yl)-2-N-phenylquinazoline-2,4-diamine);bis(N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine) is Cc1cc(Nc2nc(Nc3ccccc3)nc3ccccc23)n[nH]1.Cc1cc(Nc2nc(Nc3ccccc3)nc3ccccc23)n[nH]1.Cc1cc(Nc2ncnc3ccccc23)n[nH]1.Cc1cc(Nc2ncnc3ccccc23)n[nH]1.c1ccc2[nH]ncc2c1.c1ccccc1.
What is the InChIKey of benzene;1H-indazole;bis(4-N-(5-methyl-1H-pyrazol-3-yl)-2-N-phenylquinazoline-2,4-diamine);bis(N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine)?
The InChIKey is WBCASRAPBNQYJP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C18H16N6.2C12H11N5.C7H6N2.C6H6/c2*1-12-11-16(24-23-12)21-17-14-9-5-6-10-15(14)20-18(22-17)19-13-7-3-2-4-8-13;2*1-8-6-11(17-16-8)15-12-9-4-2-3-5-10(9)13-7-14-12;1-2-4-7-6(3-1)5-8-9-7;1-2-4-6-5-3-1/h2*2-11H,1H3,(H3,19,20,21,22,23,24);2*2-7H,1H3,(H2,13,14,15,16,17);1-5H,(H,8,9);1-6H.
What are the key properties of benzene;1H-indazole;bis(4-N-(5-methyl-1H-pyrazol-3-yl)-2-N-phenylquinazoline-2,4-diamine);bis(N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine)?
benzene;1H-indazole;bis(4-N-(5-methyl-1H-pyrazol-3-yl)-2-N-phenylquinazoline-2,4-diamine);bis(N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine) has a molecular weight of 1279.50 g/mol, XLogP of 16.36, 12 rotatable bonds, 11 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;1H-indazole;bis(4-N-(5-methyl-1H-pyrazol-3-yl)-2-N-phenylquinazoline-2,4-diamine);bis(N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine) is sourced from PubChem (CID 90906918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).