N-(3-morpholin-4-ylpropyl)-3-phenyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine

C22H29N5O — CID 4904515

IUPACN-(3-morpholin-4-ylpropyl)-3-phenyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCC(C)c1cc(NCCCN2CCOCC2)n2ncc(-c3ccccc3)c2n1
InChIInChI=1S/C22H29N5O/c1-17(2)20-15-21(23-9-6-10-26-11-13-28-14-12-26)27-22(25-20)19(16-24-27)18-7-4-3-5-8-18/h3-5,7-8,15-17,23H,6,9-14H2,1-2H3
InChIKeyIVZZZQSHWVPFPA-UHFFFAOYSA-N
MW379.51 g/mol
LogP3.65
Rot. Bonds7

About N-(3-morpholin-4-ylpropyl)-3-phenyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine

N-(3-morpholin-4-ylpropyl)-3-phenyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 4904515) has the molecular formula C22H29N5O and a molecular weight of 379.51 g/mol. Its IUPAC name is N-(3-morpholin-4-ylpropyl)-3-phenyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-(3-morpholin-4-ylpropyl)-3-phenyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID4904515
Molecular FormulaC22H29N5O
Molecular Weight379.51 g/mol
Exact Mass379.24
IUPAC NameN-(3-morpholin-4-ylpropyl)-3-phenyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCC(C)c1cc(NCCCN2CCOCC2)n2ncc(-c3ccccc3)c2n1
InChIInChI=1S/C22H29N5O/c1-17(2)20-15-21(23-9-6-10-26-11-13-28-14-12-26)27-22(25-20)19(16-24-27)18-7-4-3-5-8-18/h3-5,7-8,15-17,23H,6,9-14H2,1-2H3
InChIKeyIVZZZQSHWVPFPA-UHFFFAOYSA-N
XLogP3.65
TPSA54.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.51
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-morpholin-4-ylpropyl)-3-phenyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-(3-morpholin-4-ylpropyl)-3-phenyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine (CID 4904515) is N-(3-morpholin-4-ylpropyl)-3-phenyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-(3-morpholin-4-ylpropyl)-3-phenyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-(3-morpholin-4-ylpropyl)-3-phenyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine is CC(C)c1cc(NCCCN2CCOCC2)n2ncc(-c3ccccc3)c2n1.
What is the InChIKey of N-(3-morpholin-4-ylpropyl)-3-phenyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is IVZZZQSHWVPFPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O/c1-17(2)20-15-21(23-9-6-10-26-11-13-28-14-12-26)27-22(25-20)19(16-24-27)18-7-4-3-5-8-18/h3-5,7-8,15-17,23H,6,9-14H2,1-2H3.
What are the key properties of N-(3-morpholin-4-ylpropyl)-3-phenyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine?
N-(3-morpholin-4-ylpropyl)-3-phenyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 379.51 g/mol, XLogP of 3.65, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-morpholin-4-ylpropyl)-3-phenyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 4904515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).