4-(3-methoxy-5-methylphenyl)-N-(5-piperazin-1-yl-2-pyridinyl)-1-propan-2-ylpyrazolo[4,3-h]quinazolin-8-amine

C29H32N8O — CID 158946045

IUPAC4-(3-methoxy-5-methylphenyl)-N-(5-piperazin-1-yl-2-pyridinyl)-1-propan-2-ylpyrazolo[4,3-h]quinazolin-8-amine
SMILESCOc1cc(C)cc(-c2cc3cnc(Nc4ccc(N5CCNCC5)cn4)nc3c3c2cnn3C(C)C)c1
InChIInChI=1S/C29H32N8O/c1-18(2)37-28-25(17-33-37)24(20-11-19(3)12-23(13-20)38-4)14-21-15-32-29(35-27(21)28)34-26-6-5-22(16-31-26)36-9-7-30-8-10-36/h5-6,11-18,30H,7-10H2,1-4H3,(H,31,32,34,35)
InChIKeyYQZDKHRSIUONNY-UHFFFAOYSA-N
MW508.63 g/mol
LogP5.09
Rot. Bonds6

About 4-(3-methoxy-5-methylphenyl)-N-(5-piperazin-1-yl-2-pyridinyl)-1-propan-2-ylpyrazolo[4,3-h]quinazolin-8-amine

4-(3-methoxy-5-methylphenyl)-N-(5-piperazin-1-yl-2-pyridinyl)-1-propan-2-ylpyrazolo[4,3-h]quinazolin-8-amine (PubChem CID 158946045) has the molecular formula C29H32N8O and a molecular weight of 508.63 g/mol. Its IUPAC name is 4-(3-methoxy-5-methylphenyl)-N-(5-piperazin-1-yl-2-pyridinyl)-1-propan-2-ylpyrazolo[4,3-h]quinazolin-8-amine.

Molecular Properties

Compound Name4-(3-methoxy-5-methylphenyl)-N-(5-piperazin-1-yl-2-pyridinyl)-1-propan-2-ylpyrazolo[4,3-h]quinazolin-8-amine
PubChem CID158946045
Molecular FormulaC29H32N8O
Molecular Weight508.63 g/mol
Exact Mass508.27
IUPAC Name4-(3-methoxy-5-methylphenyl)-N-(5-piperazin-1-yl-2-pyridinyl)-1-propan-2-ylpyrazolo[4,3-h]quinazolin-8-amine
SMILESCOc1cc(C)cc(-c2cc3cnc(Nc4ccc(N5CCNCC5)cn4)nc3c3c2cnn3C(C)C)c1
InChIInChI=1S/C29H32N8O/c1-18(2)37-28-25(17-33-37)24(20-11-19(3)12-23(13-20)38-4)14-21-15-32-29(35-27(21)28)34-26-6-5-22(16-31-26)36-9-7-30-8-10-36/h5-6,11-18,30H,7-10H2,1-4H3,(H,31,32,34,35)
InChIKeyYQZDKHRSIUONNY-UHFFFAOYSA-N
XLogP5.09
TPSA93.02 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.63
LogP ≤ 55.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Launch Full Analysis

Related Compounds

N8-[(2S)-3,3-dimethylbutan-2-yl]-N2-[2-methoxy-4-(1-methyl-1H-pyrazol-4-yl)phenyl]pyrido[3,4-d]pyrimidine-2,8-diamine
CID 73386882
N2-(2-Methoxy-4-(1-Methyl-1h-Pyrazol-4-Yl)phenyl)-N8-Neopentylpyrido[3,4-D]pyrimidine-2,8-Diamine
CID 73387064
6H-Pyrido(4,3-b)carbazole, 1-((3-(4-aminopropyl-1-piperazinyl)propyl)amino)-9-methoxy-5-methyl-
CID 135608
3-{2-[(2-methoxyphenyl)methyl]-1H-1,3-benzodiazol-6-yl}-1-[4-(piperazin-1-yl)cyclohexyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 25218688
ML347
CID 44577753
8-N-cyclohexyl-2-N-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]pyrido[3,4-d]pyrimidine-2,8-diamine
CID 73386878
N2-(4-(1,5-dimethyl-1H-pyrazol-4-yl)-2-methoxyphenyl)-N8-neopentylpyrido[3,4-d]pyrimidine-2,8-diamine
CID 90000938
1,2-Ethanediamine, N,N-diethyl-N'-(5,6-dimethyl-9-methoxy-6H-pyrido(4,3-b)carbazol-1-yl)-, hemihydrate
CID 3068871
Lut-014
CID 138319775
Ker-047
CID 142464264
6-[[6-(3-Methoxyphenyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl]methyl]quinoline
CID 127046732
6H-Pyrido(4,3-b)carbazol-1-amine, N-(3-(1H-imidazol-1-yl)propyl)-9-methoxy-5-methyl-
CID 153594

Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxy-5-methylphenyl)-N-(5-piperazin-1-yl-2-pyridinyl)-1-propan-2-ylpyrazolo[4,3-h]quinazolin-8-amine?
The IUPAC name of 4-(3-methoxy-5-methylphenyl)-N-(5-piperazin-1-yl-2-pyridinyl)-1-propan-2-ylpyrazolo[4,3-h]quinazolin-8-amine (CID 158946045) is 4-(3-methoxy-5-methylphenyl)-N-(5-piperazin-1-yl-2-pyridinyl)-1-propan-2-ylpyrazolo[4,3-h]quinazolin-8-amine.
What is the SMILES notation for 4-(3-methoxy-5-methylphenyl)-N-(5-piperazin-1-yl-2-pyridinyl)-1-propan-2-ylpyrazolo[4,3-h]quinazolin-8-amine?
The canonical SMILES for 4-(3-methoxy-5-methylphenyl)-N-(5-piperazin-1-yl-2-pyridinyl)-1-propan-2-ylpyrazolo[4,3-h]quinazolin-8-amine is COc1cc(C)cc(-c2cc3cnc(Nc4ccc(N5CCNCC5)cn4)nc3c3c2cnn3C(C)C)c1.
What is the InChIKey of 4-(3-methoxy-5-methylphenyl)-N-(5-piperazin-1-yl-2-pyridinyl)-1-propan-2-ylpyrazolo[4,3-h]quinazolin-8-amine?
The InChIKey is YQZDKHRSIUONNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N8O/c1-18(2)37-28-25(17-33-37)24(20-11-19(3)12-23(13-20)38-4)14-21-15-32-29(35-27(21)28)34-26-6-5-22(16-31-26)36-9-7-30-8-10-36/h5-6,11-18,30H,7-10H2,1-4H3,(H,31,32,34,35).
What are the key properties of 4-(3-methoxy-5-methylphenyl)-N-(5-piperazin-1-yl-2-pyridinyl)-1-propan-2-ylpyrazolo[4,3-h]quinazolin-8-amine?
4-(3-methoxy-5-methylphenyl)-N-(5-piperazin-1-yl-2-pyridinyl)-1-propan-2-ylpyrazolo[4,3-h]quinazolin-8-amine has a molecular weight of 508.63 g/mol, XLogP of 5.09, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxy-5-methylphenyl)-N-(5-piperazin-1-yl-2-pyridinyl)-1-propan-2-ylpyrazolo[4,3-h]quinazolin-8-amine is sourced from PubChem (CID 158946045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).