8-cyclopentyl-N-[5-(4-pyrrolidin-1-ylpiperidin-1-yl)-2-pyridinyl]-4,6,8,10,11-pentazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine

C27H33N9 — CID 58300171

IUPAC8-cyclopentyl-N-[5-(4-pyrrolidin-1-ylpiperidin-1-yl)-2-pyridinyl]-4,6,8,10,11-pentazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine
SMILESc1cc2c3cnc(Nc4ccc(N5CCC(N6CCCC6)CC5)cn4)nc3n(C3CCCC3)c2nn1
InChIInChI=1S/C27H33N9/c1-2-6-20(5-1)36-25-23(22-9-12-30-33-26(22)36)18-29-27(32-25)31-24-8-7-21(17-28-24)35-15-10-19(11-16-35)34-13-3-4-14-34/h7-9,12,17-20H,1-6,10-11,13-16H2,(H,28,29,31,32)
InChIKeyFUEJYUAAPQRUCX-UHFFFAOYSA-N
MW483.62 g/mol
LogP4.69
Rot. Bonds5

About 8-cyclopentyl-N-[5-(4-pyrrolidin-1-ylpiperidin-1-yl)-2-pyridinyl]-4,6,8,10,11-pentazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine

8-cyclopentyl-N-[5-(4-pyrrolidin-1-ylpiperidin-1-yl)-2-pyridinyl]-4,6,8,10,11-pentazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine (PubChem CID 58300171) has the molecular formula C27H33N9 and a molecular weight of 483.62 g/mol. Its IUPAC name is 8-cyclopentyl-N-[5-(4-pyrrolidin-1-ylpiperidin-1-yl)-2-pyridinyl]-4,6,8,10,11-pentazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine.

Molecular Properties

Compound Name8-cyclopentyl-N-[5-(4-pyrrolidin-1-ylpiperidin-1-yl)-2-pyridinyl]-4,6,8,10,11-pentazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine
PubChem CID58300171
Molecular FormulaC27H33N9
Molecular Weight483.62 g/mol
Exact Mass483.29
IUPAC Name8-cyclopentyl-N-[5-(4-pyrrolidin-1-ylpiperidin-1-yl)-2-pyridinyl]-4,6,8,10,11-pentazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine
SMILESc1cc2c3cnc(Nc4ccc(N5CCC(N6CCCC6)CC5)cn4)nc3n(C3CCCC3)c2nn1
InChIInChI=1S/C27H33N9/c1-2-6-20(5-1)36-25-23(22-9-12-30-33-26(22)36)18-29-27(32-25)31-24-8-7-21(17-28-24)35-15-10-19(11-16-35)34-13-3-4-14-34/h7-9,12,17-20H,1-6,10-11,13-16H2,(H,28,29,31,32)
InChIKeyFUEJYUAAPQRUCX-UHFFFAOYSA-N
XLogP4.69
TPSA87.89 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.62
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 8-cyclopentyl-N-[5-(4-pyrrolidin-1-ylpiperidin-1-yl)-2-pyridinyl]-4,6,8,10,11-pentazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-cyclopentyl-N-[5-(4-pyrrolidin-1-ylpiperidin-1-yl)-2-pyridinyl]-4,6,8,10,11-pentazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine?
The IUPAC name of 8-cyclopentyl-N-[5-(4-pyrrolidin-1-ylpiperidin-1-yl)-2-pyridinyl]-4,6,8,10,11-pentazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine (CID 58300171) is 8-cyclopentyl-N-[5-(4-pyrrolidin-1-ylpiperidin-1-yl)-2-pyridinyl]-4,6,8,10,11-pentazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine.
What is the SMILES notation for 8-cyclopentyl-N-[5-(4-pyrrolidin-1-ylpiperidin-1-yl)-2-pyridinyl]-4,6,8,10,11-pentazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine?
The canonical SMILES for 8-cyclopentyl-N-[5-(4-pyrrolidin-1-ylpiperidin-1-yl)-2-pyridinyl]-4,6,8,10,11-pentazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine is c1cc2c3cnc(Nc4ccc(N5CCC(N6CCCC6)CC5)cn4)nc3n(C3CCCC3)c2nn1.
What is the InChIKey of 8-cyclopentyl-N-[5-(4-pyrrolidin-1-ylpiperidin-1-yl)-2-pyridinyl]-4,6,8,10,11-pentazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine?
The InChIKey is FUEJYUAAPQRUCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N9/c1-2-6-20(5-1)36-25-23(22-9-12-30-33-26(22)36)18-29-27(32-25)31-24-8-7-21(17-28-24)35-15-10-19(11-16-35)34-13-3-4-14-34/h7-9,12,17-20H,1-6,10-11,13-16H2,(H,28,29,31,32).
What are the key properties of 8-cyclopentyl-N-[5-(4-pyrrolidin-1-ylpiperidin-1-yl)-2-pyridinyl]-4,6,8,10,11-pentazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine?
8-cyclopentyl-N-[5-(4-pyrrolidin-1-ylpiperidin-1-yl)-2-pyridinyl]-4,6,8,10,11-pentazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine has a molecular weight of 483.62 g/mol, XLogP of 4.69, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclopentyl-N-[5-(4-pyrrolidin-1-ylpiperidin-1-yl)-2-pyridinyl]-4,6,8,10,11-pentazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine is sourced from PubChem (CID 58300171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).