1-[3-(6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-1H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-amine

C17H23N9 — CID 134473719

IUPAC1-[3-(6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-1H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-amine
SMILESCC1(N)CCN(c2cnc3c(N4CCCn5nccc54)n[nH]c3n2)CC1
InChIInChI=1S/C17H23N9/c1-17(18)4-9-24(10-5-17)12-11-19-14-15(21-12)22-23-16(14)25-7-2-8-26-13(25)3-6-20-26/h3,6,11H,2,4-5,7-10,18H2,1H3,(H,21,22,23)
InChIKeyMMVMYHSBESSLAT-UHFFFAOYSA-N
MW353.43 g/mol
LogP1.41
Rot. Bonds2

About 1-[3-(6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-1H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-amine

1-[3-(6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-1H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-amine (PubChem CID 134473719) has the molecular formula C17H23N9 and a molecular weight of 353.43 g/mol. Its IUPAC name is 1-[3-(6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-1H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-amine.

Molecular Properties

Compound Name1-[3-(6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-1H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-amine
PubChem CID134473719
Molecular FormulaC17H23N9
Molecular Weight353.43 g/mol
Exact Mass353.21
IUPAC Name1-[3-(6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-1H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-amine
SMILESCC1(N)CCN(c2cnc3c(N4CCCn5nccc54)n[nH]c3n2)CC1
InChIInChI=1S/C17H23N9/c1-17(18)4-9-24(10-5-17)12-11-19-14-15(21-12)22-23-16(14)25-7-2-8-26-13(25)3-6-20-26/h3,6,11H,2,4-5,7-10,18H2,1H3,(H,21,22,23)
InChIKeyMMVMYHSBESSLAT-UHFFFAOYSA-N
XLogP1.41
TPSA104.78 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 1-[3-(6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-1H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-1H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-amine?
The IUPAC name of 1-[3-(6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-1H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-amine (CID 134473719) is 1-[3-(6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-1H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-amine.
What is the SMILES notation for 1-[3-(6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-1H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-amine?
The canonical SMILES for 1-[3-(6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-1H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-amine is CC1(N)CCN(c2cnc3c(N4CCCn5nccc54)n[nH]c3n2)CC1.
What is the InChIKey of 1-[3-(6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-1H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-amine?
The InChIKey is MMVMYHSBESSLAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N9/c1-17(18)4-9-24(10-5-17)12-11-19-14-15(21-12)22-23-16(14)25-7-2-8-26-13(25)3-6-20-26/h3,6,11H,2,4-5,7-10,18H2,1H3,(H,21,22,23).
What are the key properties of 1-[3-(6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-1H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-amine?
1-[3-(6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-1H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-amine has a molecular weight of 353.43 g/mol, XLogP of 1.41, 2 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-1H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-amine is sourced from PubChem (CID 134473719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).