3-benzyl-6-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-2-amine;3-benzyl-6-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-2-amine;3-benzyl-6-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-2-amine;6-[4-(3-morpholin-4-ylpropoxy)phenyl]-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-2-amine

C80H74N20O3 — CID 157352430

IUPAC3-benzyl-6-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-2-amine;3-benzyl-6-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-2-amine;3-benzyl-6-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-2-amine;6-[4-(3-morpholin-4-ylpropoxy)phenyl]-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-2-amine
SMILESCOc1ccc(-c2cnc3c(Cc4ccccc4)c(N)nn3c2)cc1.Nc1nn2cc(-c3ccc(OCCCN4CCOCC4)cc3)cnc2c1-c1ccccn1.Nc1nn2cc(-c3ccccn3)cnc2c1Cc1ccccc1.Nc1nn2cc(-c3ccncc3)cnc2c1Cc1ccccc1
InChIInChI=1S/C24H26N6O2.C20H18N4O.2C18H15N5/c25-23-22(21-4-1-2-9-26-21)24-27-16-19(17-30(24)28-23)18-5-7-20(8-6-18)32-13-3-10-29-11-14-31-15-12-29;1-25-17-9-7-15(8-10-17)16-12-22-20-18(19(21)23-24(20)13-16)11-14-5-3-2-4-6-14;19-17-15(10-13-6-2-1-3-7-13)18-21-11-14(12-23(18)22-17)16-8-4-5-9-20-16;19-17-16(10-13-4-2-1-3-5-13)18-21-11-15(12-23(18)22-17)14-6-8-20-9-7-14/h1-2,4-9,16-17H,3,10-15H2,(H2,25,28);2-10,12-13H,11H2,1H3,(H2,21,23);2*1-9,11-12H,10H2,(H2,19,22)
InChIKeyBHRQPCCQFFRMEQ-UHFFFAOYSA-N
MW1363.61 g/mol
LogP12.65
Rot. Bonds17

About 3-benzyl-6-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-2-amine;3-benzyl-6-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-2-amine;3-benzyl-6-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-2-amine;6-[4-(3-morpholin-4-ylpropoxy)phenyl]-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-2-amine

3-benzyl-6-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-2-amine;3-benzyl-6-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-2-amine;3-benzyl-6-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-2-amine;6-[4-(3-morpholin-4-ylpropoxy)phenyl]-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-2-amine (PubChem CID 157352430) has the molecular formula C80H74N20O3 and a molecular weight of 1363.61 g/mol. Its IUPAC name is 3-benzyl-6-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-2-amine;3-benzyl-6-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-2-amine;3-benzyl-6-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-2-amine;6-[4-(3-morpholin-4-ylpropoxy)phenyl]-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-2-amine.

Molecular Properties

Compound Name3-benzyl-6-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-2-amine;3-benzyl-6-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-2-amine;3-benzyl-6-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-2-amine;6-[4-(3-morpholin-4-ylpropoxy)phenyl]-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-2-amine
PubChem CID157352430
Molecular FormulaC80H74N20O3
Molecular Weight1363.61 g/mol
Exact Mass1362.63
IUPAC Name3-benzyl-6-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-2-amine;3-benzyl-6-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-2-amine;3-benzyl-6-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-2-amine;6-[4-(3-morpholin-4-ylpropoxy)phenyl]-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-2-amine
SMILESCOc1ccc(-c2cnc3c(Cc4ccccc4)c(N)nn3c2)cc1.Nc1nn2cc(-c3ccc(OCCCN4CCOCC4)cc3)cnc2c1-c1ccccn1.Nc1nn2cc(-c3ccccn3)cnc2c1Cc1ccccc1.Nc1nn2cc(-c3ccncc3)cnc2c1Cc1ccccc1
InChIInChI=1S/C24H26N6O2.C20H18N4O.2C18H15N5/c25-23-22(21-4-1-2-9-26-21)24-27-16-19(17-30(24)28-23)18-5-7-20(8-6-18)32-13-3-10-29-11-14-31-15-12-29;1-25-17-9-7-15(8-10-17)16-12-22-20-18(19(21)23-24(20)13-16)11-14-5-3-2-4-6-14;19-17-15(10-13-6-2-1-3-7-13)18-21-11-14(12-23(18)22-17)16-8-4-5-9-20-16;19-17-16(10-13-4-2-1-3-5-13)18-21-11-15(12-23(18)22-17)14-6-8-20-9-7-14/h1-2,4-9,16-17H,3,10-15H2,(H2,25,28);2-10,12-13H,11H2,1H3,(H2,21,23);2*1-9,11-12H,10H2,(H2,19,22)
InChIKeyBHRQPCCQFFRMEQ-UHFFFAOYSA-N
XLogP12.65
TPSA294.44 Ų
H-Bond Donors4
H-Bond Acceptors23
Rotatable Bonds17
Heavy Atoms103
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001363.61
LogP ≤ 512.65
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1023

Computed Properties (RDKit)

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

Analyze 3-benzyl-6-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-2-amine;3-benzyl-6-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-2-amine;3-benzyl-6-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-2-amine;6-[4-(3-morpholin-4-ylpropoxy)phenyl]-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-2-amine with MolForge

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Related Compounds

Dorsomorphin
CID 11524144
4-[2-[4-(3-Pyridin-4-ylpyrazolo[1,5-a]pyrimidin-6-yl)phenoxy]ethyl]morpholine
CID 5329453
3-(6-{4-[2-(Piperidin-1-yl)ethoxy]phenyl}pyrazolo[1,5-a]pyrimidin-3-yl)pyridine
CID 5329452
Methyl substituted pyrazole, 28
CID 23648676
4-(2-(4-(3-(Quinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl)phenoxy)ethyl)morpholine
CID 50997748
7-cyclohexyl-6-[4-(4-pyridylmethoxy)phenyl]-3-(1H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine
CID 15958078
4-(6-(4-(2-Morpholinoethoxy)phenyl)pyrazolo[1,5-a]pyrimidin-3-yl)pyridin-2-amine
CID 52945753
4-(6-(4-(2-(4-Methylpiperazin-1-yl)ethoxy)phenyl)pyrazolo[1,5-a]pyrimidin-3-yl)quinoline
CID 44223241
N,N-diethyl-2-(4-(3-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl)phenoxy)ethanamine
CID 44223352
6-(4-(2-(4-Methylpiperazin-1-yl)ethoxy)phenyl)-3-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidine
CID 44577680
4-(6-(4-(2-(Piperidin-1-yl)ethoxy)phenyl)pyrazolo[1,5-a]pyrimidin-3-yl)quinoline
CID 44577770
6-(4-Benzyloxyphenyl)-7-cyclohexyl-3-(1-methyltetrazol-5-yl)pyrazolo[1,5-a]pyrimidine
CID 15958057

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-6-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-2-amine;3-benzyl-6-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-2-amine;3-benzyl-6-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-2-amine;6-[4-(3-morpholin-4-ylpropoxy)phenyl]-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-2-amine?
The IUPAC name of 3-benzyl-6-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-2-amine;3-benzyl-6-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-2-amine;3-benzyl-6-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-2-amine;6-[4-(3-morpholin-4-ylpropoxy)phenyl]-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-2-amine (CID 157352430) is 3-benzyl-6-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-2-amine;3-benzyl-6-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-2-amine;3-benzyl-6-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-2-amine;6-[4-(3-morpholin-4-ylpropoxy)phenyl]-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-2-amine.
What is the SMILES notation for 3-benzyl-6-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-2-amine;3-benzyl-6-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-2-amine;3-benzyl-6-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-2-amine;6-[4-(3-morpholin-4-ylpropoxy)phenyl]-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-2-amine?
The canonical SMILES for 3-benzyl-6-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-2-amine;3-benzyl-6-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-2-amine;3-benzyl-6-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-2-amine;6-[4-(3-morpholin-4-ylpropoxy)phenyl]-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-2-amine is COc1ccc(-c2cnc3c(Cc4ccccc4)c(N)nn3c2)cc1.Nc1nn2cc(-c3ccc(OCCCN4CCOCC4)cc3)cnc2c1-c1ccccn1.Nc1nn2cc(-c3ccccn3)cnc2c1Cc1ccccc1.Nc1nn2cc(-c3ccncc3)cnc2c1Cc1ccccc1.
What is the InChIKey of 3-benzyl-6-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-2-amine;3-benzyl-6-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-2-amine;3-benzyl-6-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-2-amine;6-[4-(3-morpholin-4-ylpropoxy)phenyl]-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-2-amine?
The InChIKey is BHRQPCCQFFRMEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O2.C20H18N4O.2C18H15N5/c25-23-22(21-4-1-2-9-26-21)24-27-16-19(17-30(24)28-23)18-5-7-20(8-6-18)32-13-3-10-29-11-14-31-15-12-29;1-25-17-9-7-15(8-10-17)16-12-22-20-18(19(21)23-24(20)13-16)11-14-5-3-2-4-6-14;19-17-15(10-13-6-2-1-3-7-13)18-21-11-14(12-23(18)22-17)16-8-4-5-9-20-16;19-17-16(10-13-4-2-1-3-5-13)18-21-11-15(12-23(18)22-17)14-6-8-20-9-7-14/h1-2,4-9,16-17H,3,10-15H2,(H2,25,28);2-10,12-13H,11H2,1H3,(H2,21,23);2*1-9,11-12H,10H2,(H2,19,22).
What are the key properties of 3-benzyl-6-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-2-amine;3-benzyl-6-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-2-amine;3-benzyl-6-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-2-amine;6-[4-(3-morpholin-4-ylpropoxy)phenyl]-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-2-amine?
3-benzyl-6-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-2-amine;3-benzyl-6-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-2-amine;3-benzyl-6-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-2-amine;6-[4-(3-morpholin-4-ylpropoxy)phenyl]-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-2-amine has a molecular weight of 1363.61 g/mol, XLogP of 12.65, 17 rotatable bonds, 4 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-6-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-2-amine;3-benzyl-6-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-2-amine;3-benzyl-6-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-2-amine;6-[4-(3-morpholin-4-ylpropoxy)phenyl]-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-2-amine is sourced from PubChem (CID 157352430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).