7-methoxy-2-[2-(2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)propyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine

C20H24N8O — CID 90257931

IUPAC7-methoxy-2-[2-(2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)propyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
SMILESCOc1cccc2c1nc(N)n1nc(CC(C)N3CCn4nc(C)cc4C3)nc21
InChIInChI=1S/C20H24N8O/c1-12-9-14-11-26(7-8-27(14)24-12)13(2)10-17-22-19-15-5-4-6-16(29-3)18(15)23-20(21)28(19)25-17/h4-6,9,13H,7-8,10-11H2,1-3H3,(H2,21,23)
InChIKeyGKOGSJDSDASPER-UHFFFAOYSA-N
MW392.47 g/mol
LogP1.82
Rot. Bonds4

About 7-methoxy-2-[2-(2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)propyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine

7-methoxy-2-[2-(2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)propyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine (PubChem CID 90257931) has the molecular formula C20H24N8O and a molecular weight of 392.47 g/mol. Its IUPAC name is 7-methoxy-2-[2-(2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)propyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine.

Molecular Properties

Compound Name7-methoxy-2-[2-(2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)propyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
PubChem CID90257931
Molecular FormulaC20H24N8O
Molecular Weight392.47 g/mol
Exact Mass392.21
IUPAC Name7-methoxy-2-[2-(2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)propyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
SMILESCOc1cccc2c1nc(N)n1nc(CC(C)N3CCn4nc(C)cc4C3)nc21
InChIInChI=1S/C20H24N8O/c1-12-9-14-11-26(7-8-27(14)24-12)13(2)10-17-22-19-15-5-4-6-16(29-3)18(15)23-20(21)28(19)25-17/h4-6,9,13H,7-8,10-11H2,1-3H3,(H2,21,23)
InChIKeyGKOGSJDSDASPER-UHFFFAOYSA-N
XLogP1.82
TPSA99.39 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.47
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 7-methoxy-2-[2-(2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)propyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine with MolForge

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Related Compounds

tert-butyl (4-(4-amino-1-(2-(4-(dimethylamino)piperidin-1-yl)ethyl)-1H-pyrazolo(3,4-d)pyrimidin-3-yl)-2-methoxyphenyl)carbamate
CID 121231408
Pyrazolo[3,4-d]pyrimidine 7
CID 6539958
Pyrazolo[3,4-d]pyrimidine 9
CID 6539960
Pyrazolo[3,4-d]pyrimidine 10
CID 6539961
(S)-4-(6-amino-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-N-(4-methoxy-2-methylphenyl)-3-methylpiperazine-1-carboxamide
CID 76282073
8-N-(2,2-dimethylpropyl)-2-N-[2-methoxy-4-(4-methyl-1,2,4-triazol-3-yl)phenyl]pyrido[3,4-d]pyrimidine-2,8-diamine
CID 73387073
8-N-(2,2-dimethylpropyl)-2-N-[2-methoxy-4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-6-methylpyrido[3,4-d]pyrimidine-2,8-diamine
CID 73387152
US10399974, Example 56
CID 118348985
tert-butyl N-[4-[4-amino-1-[2-(4-pyrrolidin-1-ylpiperidin-1-yl)ethyl]pyrazolo[3,4-d]pyrimidin-3-yl]-2-methoxyphenyl]carbamate
CID 127049453
2-N-[4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-2-methoxyphenyl]-8-N-(2,2-dimethylpropyl)-6-methylpyrido[3,4-d]pyrimidine-2,8-diamine
CID 145985370
N-(4-methoxyphenyl)-1,3-dimethylpyrazolo[3,4-b]quinolin-4-amine
CID 3566059
4-(4-(2-methoxyphenyl)piperazin-1-yl)-1-(o-tolyl)-1H-pyrazolo[3,4-d]pyrimidine
CID 17017479

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-2-[2-(2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)propyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine?
The IUPAC name of 7-methoxy-2-[2-(2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)propyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine (CID 90257931) is 7-methoxy-2-[2-(2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)propyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine.
What is the SMILES notation for 7-methoxy-2-[2-(2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)propyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine?
The canonical SMILES for 7-methoxy-2-[2-(2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)propyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine is COc1cccc2c1nc(N)n1nc(CC(C)N3CCn4nc(C)cc4C3)nc21.
What is the InChIKey of 7-methoxy-2-[2-(2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)propyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine?
The InChIKey is GKOGSJDSDASPER-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N8O/c1-12-9-14-11-26(7-8-27(14)24-12)13(2)10-17-22-19-15-5-4-6-16(29-3)18(15)23-20(21)28(19)25-17/h4-6,9,13H,7-8,10-11H2,1-3H3,(H2,21,23).
What are the key properties of 7-methoxy-2-[2-(2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)propyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine?
7-methoxy-2-[2-(2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)propyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine has a molecular weight of 392.47 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-2-[2-(2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)propyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine is sourced from PubChem (CID 90257931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).