6-benzyl-2-(2-phenylethyl)-N-piperidin-4-yl-5,6-dihydro-4H-pyrazolo[4,3-e][1,4]diazepin-8-amine

C26H32N6 — CID 68654312

IUPAC6-benzyl-2-(2-phenylethyl)-N-piperidin-4-yl-5,6-dihydro-4H-pyrazolo[4,3-e][1,4]diazepin-8-amine
SMILESc1ccc(CCn2cc3c(n2)C(NC2CCNCC2)=NC(Cc2ccccc2)CN3)cc1
InChIInChI=1S/C26H32N6/c1-3-7-20(8-4-1)13-16-32-19-24-25(31-32)26(29-22-11-14-27-15-12-22)30-23(18-28-24)17-21-9-5-2-6-10-21/h1-10,19,22-23,27-28H,11-18H2,(H,29,30)
InChIKeyPIQGBNPVCRMASP-UHFFFAOYSA-N
MW428.58 g/mol
LogP3.25
Rot. Bonds6

About 6-benzyl-2-(2-phenylethyl)-N-piperidin-4-yl-5,6-dihydro-4H-pyrazolo[4,3-e][1,4]diazepin-8-amine

6-benzyl-2-(2-phenylethyl)-N-piperidin-4-yl-5,6-dihydro-4H-pyrazolo[4,3-e][1,4]diazepin-8-amine (PubChem CID 68654312) has the molecular formula C26H32N6 and a molecular weight of 428.58 g/mol. Its IUPAC name is 6-benzyl-2-(2-phenylethyl)-N-piperidin-4-yl-5,6-dihydro-4H-pyrazolo[4,3-e][1,4]diazepin-8-amine.

Molecular Properties

Compound Name6-benzyl-2-(2-phenylethyl)-N-piperidin-4-yl-5,6-dihydro-4H-pyrazolo[4,3-e][1,4]diazepin-8-amine
PubChem CID68654312
Molecular FormulaC26H32N6
Molecular Weight428.58 g/mol
Exact Mass428.27
IUPAC Name6-benzyl-2-(2-phenylethyl)-N-piperidin-4-yl-5,6-dihydro-4H-pyrazolo[4,3-e][1,4]diazepin-8-amine
SMILESc1ccc(CCn2cc3c(n2)C(NC2CCNCC2)=NC(Cc2ccccc2)CN3)cc1
InChIInChI=1S/C26H32N6/c1-3-7-20(8-4-1)13-16-32-19-24-25(31-32)26(29-22-11-14-27-15-12-22)30-23(18-28-24)17-21-9-5-2-6-10-21/h1-10,19,22-23,27-28H,11-18H2,(H,29,30)
InChIKeyPIQGBNPVCRMASP-UHFFFAOYSA-N
XLogP3.25
TPSA66.27 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.58
LogP ≤ 53.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-benzyl-2-(2-phenylethyl)-N-piperidin-4-yl-5,6-dihydro-4H-pyrazolo[4,3-e][1,4]diazepin-8-amine?
The IUPAC name of 6-benzyl-2-(2-phenylethyl)-N-piperidin-4-yl-5,6-dihydro-4H-pyrazolo[4,3-e][1,4]diazepin-8-amine (CID 68654312) is 6-benzyl-2-(2-phenylethyl)-N-piperidin-4-yl-5,6-dihydro-4H-pyrazolo[4,3-e][1,4]diazepin-8-amine.
What is the SMILES notation for 6-benzyl-2-(2-phenylethyl)-N-piperidin-4-yl-5,6-dihydro-4H-pyrazolo[4,3-e][1,4]diazepin-8-amine?
The canonical SMILES for 6-benzyl-2-(2-phenylethyl)-N-piperidin-4-yl-5,6-dihydro-4H-pyrazolo[4,3-e][1,4]diazepin-8-amine is c1ccc(CCn2cc3c(n2)C(NC2CCNCC2)=NC(Cc2ccccc2)CN3)cc1.
What is the InChIKey of 6-benzyl-2-(2-phenylethyl)-N-piperidin-4-yl-5,6-dihydro-4H-pyrazolo[4,3-e][1,4]diazepin-8-amine?
The InChIKey is PIQGBNPVCRMASP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N6/c1-3-7-20(8-4-1)13-16-32-19-24-25(31-32)26(29-22-11-14-27-15-12-22)30-23(18-28-24)17-21-9-5-2-6-10-21/h1-10,19,22-23,27-28H,11-18H2,(H,29,30).
What are the key properties of 6-benzyl-2-(2-phenylethyl)-N-piperidin-4-yl-5,6-dihydro-4H-pyrazolo[4,3-e][1,4]diazepin-8-amine?
6-benzyl-2-(2-phenylethyl)-N-piperidin-4-yl-5,6-dihydro-4H-pyrazolo[4,3-e][1,4]diazepin-8-amine has a molecular weight of 428.58 g/mol, XLogP of 3.25, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-2-(2-phenylethyl)-N-piperidin-4-yl-5,6-dihydro-4H-pyrazolo[4,3-e][1,4]diazepin-8-amine is sourced from PubChem (CID 68654312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).