7-methoxy-2-[[(2R)-2-methyl-4-(1-methylpyrazol-4-yl)piperazin-1-yl]methyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine

C20H25N9O — CID 122182839

IUPAC7-methoxy-2-[[(2R)-2-methyl-4-(1-methylpyrazol-4-yl)piperazin-1-yl]methyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
SMILESCOc1cccc2c1nc(N)n1nc(CN3CCN(c4cnn(C)c4)C[C@H]3C)nc21
InChIInChI=1S/C20H25N9O/c1-13-10-28(14-9-22-26(2)11-14)8-7-27(13)12-17-23-19-15-5-4-6-16(30-3)18(15)24-20(21)29(19)25-17/h4-6,9,11,13H,7-8,10,12H2,1-3H3,(H2,21,24)/t13-/m1/s1
InChIKeyRDJIFVXEHXFTIX-CYBMUJFWSA-N
MW407.48 g/mol
LogP1.31
Rot. Bonds4

About 7-methoxy-2-[[(2R)-2-methyl-4-(1-methylpyrazol-4-yl)piperazin-1-yl]methyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine

7-methoxy-2-[[(2R)-2-methyl-4-(1-methylpyrazol-4-yl)piperazin-1-yl]methyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine (PubChem CID 122182839) has the molecular formula C20H25N9O and a molecular weight of 407.48 g/mol. Its IUPAC name is 7-methoxy-2-[[(2R)-2-methyl-4-(1-methylpyrazol-4-yl)piperazin-1-yl]methyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine.

Molecular Properties

Compound Name7-methoxy-2-[[(2R)-2-methyl-4-(1-methylpyrazol-4-yl)piperazin-1-yl]methyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
PubChem CID122182839
Molecular FormulaC20H25N9O
Molecular Weight407.48 g/mol
Exact Mass407.22
IUPAC Name7-methoxy-2-[[(2R)-2-methyl-4-(1-methylpyrazol-4-yl)piperazin-1-yl]methyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
SMILESCOc1cccc2c1nc(N)n1nc(CN3CCN(c4cnn(C)c4)C[C@H]3C)nc21
InChIInChI=1S/C20H25N9O/c1-13-10-28(14-9-22-26(2)11-14)8-7-27(13)12-17-23-19-15-5-4-6-16(30-3)18(15)24-20(21)29(19)25-17/h4-6,9,11,13H,7-8,10,12H2,1-3H3,(H2,21,24)/t13-/m1/s1
InChIKeyRDJIFVXEHXFTIX-CYBMUJFWSA-N
XLogP1.31
TPSA102.63 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.48
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-2-[[(2R)-2-methyl-4-(1-methylpyrazol-4-yl)piperazin-1-yl]methyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine?
The IUPAC name of 7-methoxy-2-[[(2R)-2-methyl-4-(1-methylpyrazol-4-yl)piperazin-1-yl]methyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine (CID 122182839) is 7-methoxy-2-[[(2R)-2-methyl-4-(1-methylpyrazol-4-yl)piperazin-1-yl]methyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine.
What is the SMILES notation for 7-methoxy-2-[[(2R)-2-methyl-4-(1-methylpyrazol-4-yl)piperazin-1-yl]methyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine?
The canonical SMILES for 7-methoxy-2-[[(2R)-2-methyl-4-(1-methylpyrazol-4-yl)piperazin-1-yl]methyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine is COc1cccc2c1nc(N)n1nc(CN3CCN(c4cnn(C)c4)C[C@H]3C)nc21.
What is the InChIKey of 7-methoxy-2-[[(2R)-2-methyl-4-(1-methylpyrazol-4-yl)piperazin-1-yl]methyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine?
The InChIKey is RDJIFVXEHXFTIX-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H25N9O/c1-13-10-28(14-9-22-26(2)11-14)8-7-27(13)12-17-23-19-15-5-4-6-16(30-3)18(15)24-20(21)29(19)25-17/h4-6,9,11,13H,7-8,10,12H2,1-3H3,(H2,21,24)/t13-/m1/s1.
What are the key properties of 7-methoxy-2-[[(2R)-2-methyl-4-(1-methylpyrazol-4-yl)piperazin-1-yl]methyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine?
7-methoxy-2-[[(2R)-2-methyl-4-(1-methylpyrazol-4-yl)piperazin-1-yl]methyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine has a molecular weight of 407.48 g/mol, XLogP of 1.31, 4 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-2-[[(2R)-2-methyl-4-(1-methylpyrazol-4-yl)piperazin-1-yl]methyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine is sourced from PubChem (CID 122182839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).