1-[3-(1-benzylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-2-[3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-1,2-bis(pyridin-3-ylmethyl)hydrazine

C38H32N14 — CID 90932117

IUPAC1-[3-(1-benzylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-2-[3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-1,2-bis(pyridin-3-ylmethyl)hydrazine
SMILESCn1cc(-c2cnn3ccc(N(Cc4cccnc4)N(Cc4cccnc4)c4ccn5ncc(-c6cnn(Cc7ccccc7)c6)c5n4)nc23)cn1
InChIInChI=1S/C38H32N14/c1-47-26-31(19-41-47)33-21-43-49-15-11-35(45-37(33)49)51(24-29-9-5-13-39-17-29)52(25-30-10-6-14-40-18-30)36-12-16-50-38(46-36)34(22-44-50)32-20-42-48(27-32)23-28-7-3-2-4-8-28/h2-22,26-27H,23-25H2,1H3
InChIKeyPCAUACBJDXFYRQ-UHFFFAOYSA-N
MW684.77 g/mol
LogP5.50
Rot. Bonds11

About 1-[3-(1-benzylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-2-[3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-1,2-bis(pyridin-3-ylmethyl)hydrazine

1-[3-(1-benzylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-2-[3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-1,2-bis(pyridin-3-ylmethyl)hydrazine (PubChem CID 90932117) has the molecular formula C38H32N14 and a molecular weight of 684.77 g/mol. Its IUPAC name is 1-[3-(1-benzylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-2-[3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-1,2-bis(pyridin-3-ylmethyl)hydrazine.

Molecular Properties

Compound Name1-[3-(1-benzylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-2-[3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-1,2-bis(pyridin-3-ylmethyl)hydrazine
PubChem CID90932117
Molecular FormulaC38H32N14
Molecular Weight684.77 g/mol
Exact Mass684.29
IUPAC Name1-[3-(1-benzylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-2-[3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-1,2-bis(pyridin-3-ylmethyl)hydrazine
SMILESCn1cc(-c2cnn3ccc(N(Cc4cccnc4)N(Cc4cccnc4)c4ccn5ncc(-c6cnn(Cc7ccccc7)c6)c5n4)nc23)cn1
InChIInChI=1S/C38H32N14/c1-47-26-31(19-41-47)33-21-43-49-15-11-35(45-37(33)49)51(24-29-9-5-13-39-17-29)52(25-30-10-6-14-40-18-30)36-12-16-50-38(46-36)34(22-44-50)32-20-42-48(27-32)23-28-7-3-2-4-8-28/h2-22,26-27H,23-25H2,1H3
InChIKeyPCAUACBJDXFYRQ-UHFFFAOYSA-N
XLogP5.50
TPSA128.28 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds11
Heavy Atoms52
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500684.77
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

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Related Compounds

PF-04981517
CID 71315139
4-[6-(4-Methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]pyridine
CID 5329456
Pyrazolo[1,5-a]pyrimidine, 3-phenyl-6-(4-pyridinyl)-
CID 5329460
2-{3-Phenylpyrazolo[1,5-a]pyrimidin-6-yl}pyridine
CID 5329461
Pyrazolo[1,5-a]pyrimidine, 3-(4-fluorophenyl)-6-(4-pyridinyl)-
CID 5329462
4-[3-(Cyclopent-1-en-1-yl)pyrazolo[1,5-a]pyrimidin-6-yl]pyridine
CID 5329473
4-[3-(Cyclohex-1-en-1-yl)pyrazolo[1,5-a]pyrimidin-6-yl]pyridine
CID 5329474
1-{1-[4-(3-phenyl-5-pyrimidin-2-ylpyridin-2-yl)benzyl]piperidin-4-yl}-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 11191934
1-[1-({4-[3-phenyl-5-(pyridin-2-yl)pyridin-2-yl]phenyl}methyl)piperidin-4-yl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 11249673
7,8-Dimethyl-2-[2-(1-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 72704706
5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine
CID 156138327
1-Phenyl-4-[4-[phenyl(3-pyridyl)methyl]piperazin-1-yl]pyrazolo[3,4-d]pyrimidine
CID 3011480

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1-benzylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-2-[3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-1,2-bis(pyridin-3-ylmethyl)hydrazine?
The IUPAC name of 1-[3-(1-benzylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-2-[3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-1,2-bis(pyridin-3-ylmethyl)hydrazine (CID 90932117) is 1-[3-(1-benzylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-2-[3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-1,2-bis(pyridin-3-ylmethyl)hydrazine.
What is the SMILES notation for 1-[3-(1-benzylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-2-[3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-1,2-bis(pyridin-3-ylmethyl)hydrazine?
The canonical SMILES for 1-[3-(1-benzylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-2-[3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-1,2-bis(pyridin-3-ylmethyl)hydrazine is Cn1cc(-c2cnn3ccc(N(Cc4cccnc4)N(Cc4cccnc4)c4ccn5ncc(-c6cnn(Cc7ccccc7)c6)c5n4)nc23)cn1.
What is the InChIKey of 1-[3-(1-benzylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-2-[3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-1,2-bis(pyridin-3-ylmethyl)hydrazine?
The InChIKey is PCAUACBJDXFYRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H32N14/c1-47-26-31(19-41-47)33-21-43-49-15-11-35(45-37(33)49)51(24-29-9-5-13-39-17-29)52(25-30-10-6-14-40-18-30)36-12-16-50-38(46-36)34(22-44-50)32-20-42-48(27-32)23-28-7-3-2-4-8-28/h2-22,26-27H,23-25H2,1H3.
What are the key properties of 1-[3-(1-benzylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-2-[3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-1,2-bis(pyridin-3-ylmethyl)hydrazine?
1-[3-(1-benzylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-2-[3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-1,2-bis(pyridin-3-ylmethyl)hydrazine has a molecular weight of 684.77 g/mol, XLogP of 5.50, 11 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1-benzylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-2-[3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-1,2-bis(pyridin-3-ylmethyl)hydrazine is sourced from PubChem (CID 90932117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).