2-[1-[2-(4-methylpiperazin-1-yl)propyl]imidazol-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine

C18H29N7 — CID 56910958

IUPAC2-[1-[2-(4-methylpiperazin-1-yl)propyl]imidazol-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine
SMILESCC(Cn1ccnc1-c1cc2n(n1)CCCNC2)N1CCN(C)CC1
InChIInChI=1S/C18H29N7/c1-15(23-10-8-22(2)9-11-23)14-24-7-5-20-18(24)17-12-16-13-19-4-3-6-25(16)21-17/h5,7,12,15,19H,3-4,6,8-11,13-14H2,1-2H3
InChIKeyGUWBVUONPCHSQH-UHFFFAOYSA-N
MW343.48 g/mol
LogP0.88
Rot. Bonds4

About 2-[1-[2-(4-methylpiperazin-1-yl)propyl]imidazol-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine

2-[1-[2-(4-methylpiperazin-1-yl)propyl]imidazol-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine (PubChem CID 56910958) has the molecular formula C18H29N7 and a molecular weight of 343.48 g/mol. Its IUPAC name is 2-[1-[2-(4-methylpiperazin-1-yl)propyl]imidazol-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine.

Molecular Properties

Compound Name2-[1-[2-(4-methylpiperazin-1-yl)propyl]imidazol-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine
PubChem CID56910958
Molecular FormulaC18H29N7
Molecular Weight343.48 g/mol
Exact Mass343.25
IUPAC Name2-[1-[2-(4-methylpiperazin-1-yl)propyl]imidazol-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine
SMILESCC(Cn1ccnc1-c1cc2n(n1)CCCNC2)N1CCN(C)CC1
InChIInChI=1S/C18H29N7/c1-15(23-10-8-22(2)9-11-23)14-24-7-5-20-18(24)17-12-16-13-19-4-3-6-25(16)21-17/h5,7,12,15,19H,3-4,6,8-11,13-14H2,1-2H3
InChIKeyGUWBVUONPCHSQH-UHFFFAOYSA-N
XLogP0.88
TPSA54.15 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.48
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(4-methylpiperazin-1-yl)propyl]imidazol-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine?
The IUPAC name of 2-[1-[2-(4-methylpiperazin-1-yl)propyl]imidazol-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine (CID 56910958) is 2-[1-[2-(4-methylpiperazin-1-yl)propyl]imidazol-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine.
What is the SMILES notation for 2-[1-[2-(4-methylpiperazin-1-yl)propyl]imidazol-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine?
The canonical SMILES for 2-[1-[2-(4-methylpiperazin-1-yl)propyl]imidazol-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine is CC(Cn1ccnc1-c1cc2n(n1)CCCNC2)N1CCN(C)CC1.
What is the InChIKey of 2-[1-[2-(4-methylpiperazin-1-yl)propyl]imidazol-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine?
The InChIKey is GUWBVUONPCHSQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N7/c1-15(23-10-8-22(2)9-11-23)14-24-7-5-20-18(24)17-12-16-13-19-4-3-6-25(16)21-17/h5,7,12,15,19H,3-4,6,8-11,13-14H2,1-2H3.
What are the key properties of 2-[1-[2-(4-methylpiperazin-1-yl)propyl]imidazol-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine?
2-[1-[2-(4-methylpiperazin-1-yl)propyl]imidazol-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine has a molecular weight of 343.48 g/mol, XLogP of 0.88, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(4-methylpiperazin-1-yl)propyl]imidazol-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine is sourced from PubChem (CID 56910958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).