[5-[4-morpholin-4-yl-2-(oxan-4-ylmethyl)pyrazolo[1,5-a]pyrazin-6-yl]pyrimidin-2-yl]phosphane

C20H25N6O2P — CID 126660886

IUPAC[5-[4-morpholin-4-yl-2-(oxan-4-ylmethyl)pyrazolo[1,5-a]pyrazin-6-yl]pyrimidin-2-yl]phosphane
SMILESPc1ncc(-c2cn3nc(CC4CCOCC4)cc3c(N3CCOCC3)n2)cn1
InChIInChI=1S/C20H25N6O2P/c29-20-21-11-15(12-22-20)17-13-26-18(19(23-17)25-3-7-28-8-4-25)10-16(24-26)9-14-1-5-27-6-2-14/h10-14H,1-9,29H2
InChIKeyFPBMDNAOXBGUNZ-UHFFFAOYSA-N
MW412.43 g/mol
LogP1.49
Rot. Bonds4

About [5-[4-morpholin-4-yl-2-(oxan-4-ylmethyl)pyrazolo[1,5-a]pyrazin-6-yl]pyrimidin-2-yl]phosphane

[5-[4-morpholin-4-yl-2-(oxan-4-ylmethyl)pyrazolo[1,5-a]pyrazin-6-yl]pyrimidin-2-yl]phosphane (PubChem CID 126660886) has the molecular formula C20H25N6O2P and a molecular weight of 412.43 g/mol. Its IUPAC name is [5-[4-morpholin-4-yl-2-(oxan-4-ylmethyl)pyrazolo[1,5-a]pyrazin-6-yl]pyrimidin-2-yl]phosphane.

Molecular Properties

Compound Name[5-[4-morpholin-4-yl-2-(oxan-4-ylmethyl)pyrazolo[1,5-a]pyrazin-6-yl]pyrimidin-2-yl]phosphane
PubChem CID126660886
Molecular FormulaC20H25N6O2P
Molecular Weight412.43 g/mol
Exact Mass412.18
IUPAC Name[5-[4-morpholin-4-yl-2-(oxan-4-ylmethyl)pyrazolo[1,5-a]pyrazin-6-yl]pyrimidin-2-yl]phosphane
SMILESPc1ncc(-c2cn3nc(CC4CCOCC4)cc3c(N3CCOCC3)n2)cn1
InChIInChI=1S/C20H25N6O2P/c29-20-21-11-15(12-22-20)17-13-26-18(19(23-17)25-3-7-28-8-4-25)10-16(24-26)9-14-1-5-27-6-2-14/h10-14H,1-9,29H2
InChIKeyFPBMDNAOXBGUNZ-UHFFFAOYSA-N
XLogP1.49
TPSA77.67 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.43
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [5-[4-morpholin-4-yl-2-(oxan-4-ylmethyl)pyrazolo[1,5-a]pyrazin-6-yl]pyrimidin-2-yl]phosphane?
The IUPAC name of [5-[4-morpholin-4-yl-2-(oxan-4-ylmethyl)pyrazolo[1,5-a]pyrazin-6-yl]pyrimidin-2-yl]phosphane (CID 126660886) is [5-[4-morpholin-4-yl-2-(oxan-4-ylmethyl)pyrazolo[1,5-a]pyrazin-6-yl]pyrimidin-2-yl]phosphane.
What is the SMILES notation for [5-[4-morpholin-4-yl-2-(oxan-4-ylmethyl)pyrazolo[1,5-a]pyrazin-6-yl]pyrimidin-2-yl]phosphane?
The canonical SMILES for [5-[4-morpholin-4-yl-2-(oxan-4-ylmethyl)pyrazolo[1,5-a]pyrazin-6-yl]pyrimidin-2-yl]phosphane is Pc1ncc(-c2cn3nc(CC4CCOCC4)cc3c(N3CCOCC3)n2)cn1.
What is the InChIKey of [5-[4-morpholin-4-yl-2-(oxan-4-ylmethyl)pyrazolo[1,5-a]pyrazin-6-yl]pyrimidin-2-yl]phosphane?
The InChIKey is FPBMDNAOXBGUNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N6O2P/c29-20-21-11-15(12-22-20)17-13-26-18(19(23-17)25-3-7-28-8-4-25)10-16(24-26)9-14-1-5-27-6-2-14/h10-14H,1-9,29H2.
What are the key properties of [5-[4-morpholin-4-yl-2-(oxan-4-ylmethyl)pyrazolo[1,5-a]pyrazin-6-yl]pyrimidin-2-yl]phosphane?
[5-[4-morpholin-4-yl-2-(oxan-4-ylmethyl)pyrazolo[1,5-a]pyrazin-6-yl]pyrimidin-2-yl]phosphane has a molecular weight of 412.43 g/mol, XLogP of 1.49, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[4-morpholin-4-yl-2-(oxan-4-ylmethyl)pyrazolo[1,5-a]pyrazin-6-yl]pyrimidin-2-yl]phosphane is sourced from PubChem (CID 126660886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).