[3-[4-[2-(1H-pyrazol-4-yl)morpholin-4-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazin-6-yl]methanamine

C18H19N9O — CID 167201790

IUPAC[3-[4-[2-(1H-pyrazol-4-yl)morpholin-4-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazin-6-yl]methanamine
SMILESNCc1cn2c(-c3nccc(N4CCOC(c5cn[nH]c5)C4)n3)cnc2cn1
InChIInChI=1S/C18H19N9O/c19-5-13-10-27-14(8-22-17(27)9-21-13)18-20-2-1-16(25-18)26-3-4-28-15(11-26)12-6-23-24-7-12/h1-2,6-10,15H,3-5,11,19H2,(H,23,24)
InChIKeyPYCPFSYPMMYRAZ-UHFFFAOYSA-N
MW377.41 g/mol
LogP0.95
Rot. Bonds4

About [3-[4-[2-(1H-pyrazol-4-yl)morpholin-4-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazin-6-yl]methanamine

[3-[4-[2-(1H-pyrazol-4-yl)morpholin-4-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazin-6-yl]methanamine (PubChem CID 167201790) has the molecular formula C18H19N9O and a molecular weight of 377.41 g/mol. Its IUPAC name is [3-[4-[2-(1H-pyrazol-4-yl)morpholin-4-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazin-6-yl]methanamine.

Molecular Properties

Compound Name[3-[4-[2-(1H-pyrazol-4-yl)morpholin-4-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazin-6-yl]methanamine
PubChem CID167201790
Molecular FormulaC18H19N9O
Molecular Weight377.41 g/mol
Exact Mass377.17
IUPAC Name[3-[4-[2-(1H-pyrazol-4-yl)morpholin-4-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazin-6-yl]methanamine
SMILESNCc1cn2c(-c3nccc(N4CCOC(c5cn[nH]c5)C4)n3)cnc2cn1
InChIInChI=1S/C18H19N9O/c19-5-13-10-27-14(8-22-17(27)9-21-13)18-20-2-1-16(25-18)26-3-4-28-15(11-26)12-6-23-24-7-12/h1-2,6-10,15H,3-5,11,19H2,(H,23,24)
InChIKeyPYCPFSYPMMYRAZ-UHFFFAOYSA-N
XLogP0.95
TPSA123.14 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms28
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.41
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of [3-[4-[2-(1H-pyrazol-4-yl)morpholin-4-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazin-6-yl]methanamine?
The IUPAC name of [3-[4-[2-(1H-pyrazol-4-yl)morpholin-4-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazin-6-yl]methanamine (CID 167201790) is [3-[4-[2-(1H-pyrazol-4-yl)morpholin-4-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazin-6-yl]methanamine.
What is the SMILES notation for [3-[4-[2-(1H-pyrazol-4-yl)morpholin-4-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazin-6-yl]methanamine?
The canonical SMILES for [3-[4-[2-(1H-pyrazol-4-yl)morpholin-4-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazin-6-yl]methanamine is NCc1cn2c(-c3nccc(N4CCOC(c5cn[nH]c5)C4)n3)cnc2cn1.
What is the InChIKey of [3-[4-[2-(1H-pyrazol-4-yl)morpholin-4-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazin-6-yl]methanamine?
The InChIKey is PYCPFSYPMMYRAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N9O/c19-5-13-10-27-14(8-22-17(27)9-21-13)18-20-2-1-16(25-18)26-3-4-28-15(11-26)12-6-23-24-7-12/h1-2,6-10,15H,3-5,11,19H2,(H,23,24).
What are the key properties of [3-[4-[2-(1H-pyrazol-4-yl)morpholin-4-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazin-6-yl]methanamine?
[3-[4-[2-(1H-pyrazol-4-yl)morpholin-4-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazin-6-yl]methanamine has a molecular weight of 377.41 g/mol, XLogP of 0.95, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[4-[2-(1H-pyrazol-4-yl)morpholin-4-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazin-6-yl]methanamine is sourced from PubChem (CID 167201790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).