8-cyclopentyl-N-[5-(3-methoxypyrrolidin-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

C24H27N7O — CID 58299910

IUPAC8-cyclopentyl-N-[5-(3-methoxypyrrolidin-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
SMILESCOC1CCN(c2ccc(Nc3ncc4c5ccncc5n(C5CCCC5)c4n3)nc2)C1
InChIInChI=1S/C24H27N7O/c1-32-18-9-11-30(15-18)17-6-7-22(26-12-17)28-24-27-13-20-19-8-10-25-14-21(19)31(23(20)29-24)16-4-2-3-5-16/h6-8,10,12-14,16,18H,2-5,9,11,15H2,1H3,(H,26,27,28,29)
InChIKeyKUMIVUZAYASXOI-UHFFFAOYSA-N
MW429.53 g/mol
LogP4.46
Rot. Bonds5

About 8-cyclopentyl-N-[5-(3-methoxypyrrolidin-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-cyclopentyl-N-[5-(3-methoxypyrrolidin-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 58299910) has the molecular formula C24H27N7O and a molecular weight of 429.53 g/mol. Its IUPAC name is 8-cyclopentyl-N-[5-(3-methoxypyrrolidin-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-cyclopentyl-N-[5-(3-methoxypyrrolidin-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 CID58299910
Molecular FormulaC24H27N7O
Molecular Weight429.53 g/mol
Exact Mass429.23
IUPAC Name8-cyclopentyl-N-[5-(3-methoxypyrrolidin-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
SMILESCOC1CCN(c2ccc(Nc3ncc4c5ccncc5n(C5CCCC5)c4n3)nc2)C1
InChIInChI=1S/C24H27N7O/c1-32-18-9-11-30(15-18)17-6-7-22(26-12-17)28-24-27-13-20-19-8-10-25-14-21(19)31(23(20)29-24)16-4-2-3-5-16/h6-8,10,12-14,16,18H,2-5,9,11,15H2,1H3,(H,26,27,28,29)
InChIKeyKUMIVUZAYASXOI-UHFFFAOYSA-N
XLogP4.46
TPSA80.99 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.53
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 8-cyclopentyl-N-[5-(3-methoxypyrrolidin-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-cyclopentyl-N-[5-(3-methoxypyrrolidin-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-cyclopentyl-N-[5-(3-methoxypyrrolidin-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 58299910) is 8-cyclopentyl-N-[5-(3-methoxypyrrolidin-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-cyclopentyl-N-[5-(3-methoxypyrrolidin-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-cyclopentyl-N-[5-(3-methoxypyrrolidin-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 COC1CCN(c2ccc(Nc3ncc4c5ccncc5n(C5CCCC5)c4n3)nc2)C1.
What is the InChIKey of 8-cyclopentyl-N-[5-(3-methoxypyrrolidin-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 KUMIVUZAYASXOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N7O/c1-32-18-9-11-30(15-18)17-6-7-22(26-12-17)28-24-27-13-20-19-8-10-25-14-21(19)31(23(20)29-24)16-4-2-3-5-16/h6-8,10,12-14,16,18H,2-5,9,11,15H2,1H3,(H,26,27,28,29).
What are the key properties of 8-cyclopentyl-N-[5-(3-methoxypyrrolidin-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-cyclopentyl-N-[5-(3-methoxypyrrolidin-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 429.53 g/mol, XLogP of 4.46, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclopentyl-N-[5-(3-methoxypyrrolidin-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 58299910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).