N-[1-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]pyrazol-3-yl]-8-methyl-9-phenyl-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine

C28H35N9 — CID 56602847

IUPACN-[1-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]pyrazol-3-yl]-8-methyl-9-phenyl-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine
SMILESCN(C)C1CCN(CCn2ccc(Nc3ncc4c(n3)-c3c(nn(C)c3-c3ccccc3)CC4)n2)CC1
InChIInChI=1S/C28H35N9/c1-34(2)22-11-14-36(15-12-22)17-18-37-16-13-24(33-37)30-28-29-19-21-9-10-23-25(26(21)31-28)27(35(3)32-23)20-7-5-4-6-8-20/h4-8,13,16,19,22H,9-12,14-15,17-18H2,1-3H3,(H,29,30,31,33)
InChIKeyOQTXRWVTVFNVBV-UHFFFAOYSA-N
MW497.65 g/mol
LogP3.61
Rot. Bonds7

About N-[1-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]pyrazol-3-yl]-8-methyl-9-phenyl-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine

N-[1-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]pyrazol-3-yl]-8-methyl-9-phenyl-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine (PubChem CID 56602847) has the molecular formula C28H35N9 and a molecular weight of 497.65 g/mol. Its IUPAC name is N-[1-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]pyrazol-3-yl]-8-methyl-9-phenyl-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine.

Molecular Properties

Compound NameN-[1-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]pyrazol-3-yl]-8-methyl-9-phenyl-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine
PubChem CID56602847
Molecular FormulaC28H35N9
Molecular Weight497.65 g/mol
Exact Mass497.30
IUPAC NameN-[1-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]pyrazol-3-yl]-8-methyl-9-phenyl-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine
SMILESCN(C)C1CCN(CCn2ccc(Nc3ncc4c(n3)-c3c(nn(C)c3-c3ccccc3)CC4)n2)CC1
InChIInChI=1S/C28H35N9/c1-34(2)22-11-14-36(15-12-22)17-18-37-16-13-24(33-37)30-28-29-19-21-9-10-23-25(26(21)31-28)27(35(3)32-23)20-7-5-4-6-8-20/h4-8,13,16,19,22H,9-12,14-15,17-18H2,1-3H3,(H,29,30,31,33)
InChIKeyOQTXRWVTVFNVBV-UHFFFAOYSA-N
XLogP3.61
TPSA79.93 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.65
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N-[1-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]pyrazol-3-yl]-8-methyl-9-phenyl-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine with MolForge

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Related Compounds

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CID 118023034
N6,N6-dimethyl-N4-[1-(phenylmethyl)-5-indazolyl]pyrido[3,4-d]pyrimidine-4,6-diamine
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PF-04254644
CID 24871823
Ldn-212854
CID 60182388
(R)-Zinc-3573
CID 95882507
Pyrazolo[1,5-b]pyridazine deriv. 37
CID 6539379
4-(6-(4-(1-Piperazinyl)phenyl)pyrazolo(1,5-a)pyrimidin-3-yl)quinoline
CID 25195294
3-cyclopropyl-5-phenyl-N-(pyridin-3-ylmethyl)pyrazolo(1,5-a)pyrimidin-7-amine
CID 10042950
5-(2-fluorophenyl)-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 21066096
1-(1-methylethyl)-3-quinolin-6-yl-1H-pyrazolo(3,4-d)pyrimidin-4-amine
CID 24905152
N-((2-aminopyrimidin-5-yl)methyl)-5-(2,6-difluorophenyl)-3-ethylpyrazolo(1,5-a)pyrimidin-7-amine
CID 44629554
PF-04981517
CID 71315139

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]pyrazol-3-yl]-8-methyl-9-phenyl-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine?
The IUPAC name of N-[1-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]pyrazol-3-yl]-8-methyl-9-phenyl-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine (CID 56602847) is N-[1-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]pyrazol-3-yl]-8-methyl-9-phenyl-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine.
What is the SMILES notation for N-[1-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]pyrazol-3-yl]-8-methyl-9-phenyl-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine?
The canonical SMILES for N-[1-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]pyrazol-3-yl]-8-methyl-9-phenyl-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine is CN(C)C1CCN(CCn2ccc(Nc3ncc4c(n3)-c3c(nn(C)c3-c3ccccc3)CC4)n2)CC1.
What is the InChIKey of N-[1-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]pyrazol-3-yl]-8-methyl-9-phenyl-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine?
The InChIKey is OQTXRWVTVFNVBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35N9/c1-34(2)22-11-14-36(15-12-22)17-18-37-16-13-24(33-37)30-28-29-19-21-9-10-23-25(26(21)31-28)27(35(3)32-23)20-7-5-4-6-8-20/h4-8,13,16,19,22H,9-12,14-15,17-18H2,1-3H3,(H,29,30,31,33).
What are the key properties of N-[1-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]pyrazol-3-yl]-8-methyl-9-phenyl-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine?
N-[1-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]pyrazol-3-yl]-8-methyl-9-phenyl-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine has a molecular weight of 497.65 g/mol, XLogP of 3.61, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]pyrazol-3-yl]-8-methyl-9-phenyl-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine is sourced from PubChem (CID 56602847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).