N-[(E)-[(E)-2-methylpent-2-enylidene]amino]-7-morpholin-4-yl-2-phenylpyrazolo[1,5-a]pyrimidin-5-amine

C22H26N6O — CID 173488175

IUPACN-[(E)-[(E)-2-methylpent-2-enylidene]amino]-7-morpholin-4-yl-2-phenylpyrazolo[1,5-a]pyrimidin-5-amine
SMILESCC/C=C(C)/C=N/Nc1cc(N2CCOCC2)n2nc(-c3ccccc3)cc2n1
InChIInChI=1S/C22H26N6O/c1-3-7-17(2)16-23-25-20-15-22(27-10-12-29-13-11-27)28-21(24-20)14-19(26-28)18-8-5-4-6-9-18/h4-9,14-16H,3,10-13H2,1-2H3,(H,24,25)/b17-7+,23-16+
InChIKeyRQDBOIWRCBBENV-UMRACZDISA-N
MW390.49 g/mol
LogP3.99
Rot. Bonds6

About N-[(E)-[(E)-2-methylpent-2-enylidene]amino]-7-morpholin-4-yl-2-phenylpyrazolo[1,5-a]pyrimidin-5-amine

N-[(E)-[(E)-2-methylpent-2-enylidene]amino]-7-morpholin-4-yl-2-phenylpyrazolo[1,5-a]pyrimidin-5-amine (PubChem CID 173488175) has the molecular formula C22H26N6O and a molecular weight of 390.49 g/mol. Its IUPAC name is N-[(E)-[(E)-2-methylpent-2-enylidene]amino]-7-morpholin-4-yl-2-phenylpyrazolo[1,5-a]pyrimidin-5-amine.

Molecular Properties

Compound NameN-[(E)-[(E)-2-methylpent-2-enylidene]amino]-7-morpholin-4-yl-2-phenylpyrazolo[1,5-a]pyrimidin-5-amine
PubChem CID173488175
Molecular FormulaC22H26N6O
Molecular Weight390.49 g/mol
Exact Mass390.22
IUPAC NameN-[(E)-[(E)-2-methylpent-2-enylidene]amino]-7-morpholin-4-yl-2-phenylpyrazolo[1,5-a]pyrimidin-5-amine
SMILESCC/C=C(C)/C=N/Nc1cc(N2CCOCC2)n2nc(-c3ccccc3)cc2n1
InChIInChI=1S/C22H26N6O/c1-3-7-17(2)16-23-25-20-15-22(27-10-12-29-13-11-27)28-21(24-20)14-19(26-28)18-8-5-4-6-9-18/h4-9,14-16H,3,10-13H2,1-2H3,(H,24,25)/b17-7+,23-16+
InChIKeyRQDBOIWRCBBENV-UMRACZDISA-N
XLogP3.99
TPSA67.05 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-[(E)-2-methylpent-2-enylidene]amino]-7-morpholin-4-yl-2-phenylpyrazolo[1,5-a]pyrimidin-5-amine?
The IUPAC name of N-[(E)-[(E)-2-methylpent-2-enylidene]amino]-7-morpholin-4-yl-2-phenylpyrazolo[1,5-a]pyrimidin-5-amine (CID 173488175) is N-[(E)-[(E)-2-methylpent-2-enylidene]amino]-7-morpholin-4-yl-2-phenylpyrazolo[1,5-a]pyrimidin-5-amine.
What is the SMILES notation for N-[(E)-[(E)-2-methylpent-2-enylidene]amino]-7-morpholin-4-yl-2-phenylpyrazolo[1,5-a]pyrimidin-5-amine?
The canonical SMILES for N-[(E)-[(E)-2-methylpent-2-enylidene]amino]-7-morpholin-4-yl-2-phenylpyrazolo[1,5-a]pyrimidin-5-amine is CC/C=C(C)/C=N/Nc1cc(N2CCOCC2)n2nc(-c3ccccc3)cc2n1.
What is the InChIKey of N-[(E)-[(E)-2-methylpent-2-enylidene]amino]-7-morpholin-4-yl-2-phenylpyrazolo[1,5-a]pyrimidin-5-amine?
The InChIKey is RQDBOIWRCBBENV-UMRACZDISA-N. The full InChI is InChI=1S/C22H26N6O/c1-3-7-17(2)16-23-25-20-15-22(27-10-12-29-13-11-27)28-21(24-20)14-19(26-28)18-8-5-4-6-9-18/h4-9,14-16H,3,10-13H2,1-2H3,(H,24,25)/b17-7+,23-16+.
What are the key properties of N-[(E)-[(E)-2-methylpent-2-enylidene]amino]-7-morpholin-4-yl-2-phenylpyrazolo[1,5-a]pyrimidin-5-amine?
N-[(E)-[(E)-2-methylpent-2-enylidene]amino]-7-morpholin-4-yl-2-phenylpyrazolo[1,5-a]pyrimidin-5-amine has a molecular weight of 390.49 g/mol, XLogP of 3.99, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[(E)-2-methylpent-2-enylidene]amino]-7-morpholin-4-yl-2-phenylpyrazolo[1,5-a]pyrimidin-5-amine is sourced from PubChem (CID 173488175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).