8-(2,3-dihydro-1H-inden-1-yl)-N-(5-piperazin-1-yl-2-pyridinyl)-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine

C27H26N8 — CID 58300208

IUPAC8-(2,3-dihydro-1H-inden-1-yl)-N-(5-piperazin-1-yl-2-pyridinyl)-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine
SMILESc1ccc2c(c1)CCC2n1c2cnccc2c2cnc(Nc3ccc(N4CCNCC4)cn3)nc21
InChIInChI=1S/C27H26N8/c1-2-4-20-18(3-1)5-7-23(20)35-24-17-29-10-9-21(24)22-16-31-27(33-26(22)35)32-25-8-6-19(15-30-25)34-13-11-28-12-14-34/h1-4,6,8-10,15-17,23,28H,5,7,11-14H2,(H,30,31,32,33)
InChIKeyGGRSBRWNHVOEPC-UHFFFAOYSA-N
MW462.56 g/mol
LogP4.06
Rot. Bonds4

About 8-(2,3-dihydro-1H-inden-1-yl)-N-(5-piperazin-1-yl-2-pyridinyl)-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine

8-(2,3-dihydro-1H-inden-1-yl)-N-(5-piperazin-1-yl-2-pyridinyl)-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine (PubChem CID 58300208) has the molecular formula C27H26N8 and a molecular weight of 462.56 g/mol. Its IUPAC name is 8-(2,3-dihydro-1H-inden-1-yl)-N-(5-piperazin-1-yl-2-pyridinyl)-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine.

Molecular Properties

Compound Name8-(2,3-dihydro-1H-inden-1-yl)-N-(5-piperazin-1-yl-2-pyridinyl)-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine
PubChem CID58300208
Molecular FormulaC27H26N8
Molecular Weight462.56 g/mol
Exact Mass462.23
IUPAC Name8-(2,3-dihydro-1H-inden-1-yl)-N-(5-piperazin-1-yl-2-pyridinyl)-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine
SMILESc1ccc2c(c1)CCC2n1c2cnccc2c2cnc(Nc3ccc(N4CCNCC4)cn3)nc21
InChIInChI=1S/C27H26N8/c1-2-4-20-18(3-1)5-7-23(20)35-24-17-29-10-9-21(24)22-16-31-27(33-26(22)35)32-25-8-6-19(15-30-25)34-13-11-28-12-14-34/h1-4,6,8-10,15-17,23,28H,5,7,11-14H2,(H,30,31,32,33)
InChIKeyGGRSBRWNHVOEPC-UHFFFAOYSA-N
XLogP4.06
TPSA83.79 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.56
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 8-(2,3-dihydro-1H-inden-1-yl)-N-(5-piperazin-1-yl-2-pyridinyl)-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-(2,3-dihydro-1H-inden-1-yl)-N-(5-piperazin-1-yl-2-pyridinyl)-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine?
The IUPAC name of 8-(2,3-dihydro-1H-inden-1-yl)-N-(5-piperazin-1-yl-2-pyridinyl)-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine (CID 58300208) is 8-(2,3-dihydro-1H-inden-1-yl)-N-(5-piperazin-1-yl-2-pyridinyl)-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine.
What is the SMILES notation for 8-(2,3-dihydro-1H-inden-1-yl)-N-(5-piperazin-1-yl-2-pyridinyl)-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine?
The canonical SMILES for 8-(2,3-dihydro-1H-inden-1-yl)-N-(5-piperazin-1-yl-2-pyridinyl)-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine is c1ccc2c(c1)CCC2n1c2cnccc2c2cnc(Nc3ccc(N4CCNCC4)cn3)nc21.
What is the InChIKey of 8-(2,3-dihydro-1H-inden-1-yl)-N-(5-piperazin-1-yl-2-pyridinyl)-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine?
The InChIKey is GGRSBRWNHVOEPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N8/c1-2-4-20-18(3-1)5-7-23(20)35-24-17-29-10-9-21(24)22-16-31-27(33-26(22)35)32-25-8-6-19(15-30-25)34-13-11-28-12-14-34/h1-4,6,8-10,15-17,23,28H,5,7,11-14H2,(H,30,31,32,33).
What are the key properties of 8-(2,3-dihydro-1H-inden-1-yl)-N-(5-piperazin-1-yl-2-pyridinyl)-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine?
8-(2,3-dihydro-1H-inden-1-yl)-N-(5-piperazin-1-yl-2-pyridinyl)-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine has a molecular weight of 462.56 g/mol, XLogP of 4.06, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,3-dihydro-1H-inden-1-yl)-N-(5-piperazin-1-yl-2-pyridinyl)-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine is sourced from PubChem (CID 58300208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).