2-morpholin-4-yl-N-(1-pyrazolo[1,5-a]pyrazin-4-ylpiperidin-4-yl)pyrimidin-4-amine

C19H24N8O — CID 172903460

IUPAC2-morpholin-4-yl-N-(1-pyrazolo[1,5-a]pyrazin-4-ylpiperidin-4-yl)pyrimidin-4-amine
SMILESc1cc(NC2CCN(c3nccn4nccc34)CC2)nc(N2CCOCC2)n1
InChIInChI=1S/C19H24N8O/c1-6-22-27-10-7-20-18(16(1)27)25-8-3-15(4-9-25)23-17-2-5-21-19(24-17)26-11-13-28-14-12-26/h1-2,5-7,10,15H,3-4,8-9,11-14H2,(H,21,23,24)
InChIKeyTUARQVGIVKRTRH-UHFFFAOYSA-N
MW380.46 g/mol
LogP1.44
Rot. Bonds4

About 2-morpholin-4-yl-N-(1-pyrazolo[1,5-a]pyrazin-4-ylpiperidin-4-yl)pyrimidin-4-amine

2-morpholin-4-yl-N-(1-pyrazolo[1,5-a]pyrazin-4-ylpiperidin-4-yl)pyrimidin-4-amine (PubChem CID 172903460) has the molecular formula C19H24N8O and a molecular weight of 380.46 g/mol. Its IUPAC name is 2-morpholin-4-yl-N-(1-pyrazolo[1,5-a]pyrazin-4-ylpiperidin-4-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-morpholin-4-yl-N-(1-pyrazolo[1,5-a]pyrazin-4-ylpiperidin-4-yl)pyrimidin-4-amine
PubChem CID172903460
Molecular FormulaC19H24N8O
Molecular Weight380.46 g/mol
Exact Mass380.21
IUPAC Name2-morpholin-4-yl-N-(1-pyrazolo[1,5-a]pyrazin-4-ylpiperidin-4-yl)pyrimidin-4-amine
SMILESc1cc(NC2CCN(c3nccn4nccc34)CC2)nc(N2CCOCC2)n1
InChIInChI=1S/C19H24N8O/c1-6-22-27-10-7-20-18(16(1)27)25-8-3-15(4-9-25)23-17-2-5-21-19(24-17)26-11-13-28-14-12-26/h1-2,5-7,10,15H,3-4,8-9,11-14H2,(H,21,23,24)
InChIKeyTUARQVGIVKRTRH-UHFFFAOYSA-N
XLogP1.44
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms28
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.46
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-N-(1-pyrazolo[1,5-a]pyrazin-4-ylpiperidin-4-yl)pyrimidin-4-amine?
The IUPAC name of 2-morpholin-4-yl-N-(1-pyrazolo[1,5-a]pyrazin-4-ylpiperidin-4-yl)pyrimidin-4-amine (CID 172903460) is 2-morpholin-4-yl-N-(1-pyrazolo[1,5-a]pyrazin-4-ylpiperidin-4-yl)pyrimidin-4-amine.
What is the SMILES notation for 2-morpholin-4-yl-N-(1-pyrazolo[1,5-a]pyrazin-4-ylpiperidin-4-yl)pyrimidin-4-amine?
The canonical SMILES for 2-morpholin-4-yl-N-(1-pyrazolo[1,5-a]pyrazin-4-ylpiperidin-4-yl)pyrimidin-4-amine is c1cc(NC2CCN(c3nccn4nccc34)CC2)nc(N2CCOCC2)n1.
What is the InChIKey of 2-morpholin-4-yl-N-(1-pyrazolo[1,5-a]pyrazin-4-ylpiperidin-4-yl)pyrimidin-4-amine?
The InChIKey is TUARQVGIVKRTRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N8O/c1-6-22-27-10-7-20-18(16(1)27)25-8-3-15(4-9-25)23-17-2-5-21-19(24-17)26-11-13-28-14-12-26/h1-2,5-7,10,15H,3-4,8-9,11-14H2,(H,21,23,24).
What are the key properties of 2-morpholin-4-yl-N-(1-pyrazolo[1,5-a]pyrazin-4-ylpiperidin-4-yl)pyrimidin-4-amine?
2-morpholin-4-yl-N-(1-pyrazolo[1,5-a]pyrazin-4-ylpiperidin-4-yl)pyrimidin-4-amine has a molecular weight of 380.46 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-N-(1-pyrazolo[1,5-a]pyrazin-4-ylpiperidin-4-yl)pyrimidin-4-amine is sourced from PubChem (CID 172903460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).