2-N-(8-cyclopentyl-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-yl)-5-N-(pyrrolidin-3-ylmethyl)pyridine-2,5-diamine

C24H28N8 — CID 58300178

IUPAC2-N-(8-cyclopentyl-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-yl)-5-N-(pyrrolidin-3-ylmethyl)pyridine-2,5-diamine
SMILESc1cc2c3cnc(Nc4ccc(NCC5CCNC5)cn4)nc3n(C3CCCC3)c2cn1
InChIInChI=1S/C24H28N8/c1-2-4-18(3-1)32-21-15-26-10-8-19(21)20-14-29-24(31-23(20)32)30-22-6-5-17(13-28-22)27-12-16-7-9-25-11-16/h5-6,8,10,13-16,18,25,27H,1-4,7,9,11-12H2,(H,28,29,30,31)
InChIKeyAADALVDVXCAFCH-UHFFFAOYSA-N
MW428.54 g/mol
LogP4.25
Rot. Bonds6

About 2-N-(8-cyclopentyl-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-yl)-5-N-(pyrrolidin-3-ylmethyl)pyridine-2,5-diamine

2-N-(8-cyclopentyl-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-yl)-5-N-(pyrrolidin-3-ylmethyl)pyridine-2,5-diamine (PubChem CID 58300178) has the molecular formula C24H28N8 and a molecular weight of 428.54 g/mol. Its IUPAC name is 2-N-(8-cyclopentyl-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-yl)-5-N-(pyrrolidin-3-ylmethyl)pyridine-2,5-diamine.

Molecular Properties

Compound Name2-N-(8-cyclopentyl-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-yl)-5-N-(pyrrolidin-3-ylmethyl)pyridine-2,5-diamine
PubChem CID58300178
Molecular FormulaC24H28N8
Molecular Weight428.54 g/mol
Exact Mass428.24
IUPAC Name2-N-(8-cyclopentyl-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-yl)-5-N-(pyrrolidin-3-ylmethyl)pyridine-2,5-diamine
SMILESc1cc2c3cnc(Nc4ccc(NCC5CCNC5)cn4)nc3n(C3CCCC3)c2cn1
InChIInChI=1S/C24H28N8/c1-2-4-18(3-1)32-21-15-26-10-8-19(21)20-14-29-24(31-23(20)32)30-22-6-5-17(13-28-22)27-12-16-7-9-25-11-16/h5-6,8,10,13-16,18,25,27H,1-4,7,9,11-12H2,(H,28,29,30,31)
InChIKeyAADALVDVXCAFCH-UHFFFAOYSA-N
XLogP4.25
TPSA92.58 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.54
LogP ≤ 54.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 2-N-(8-cyclopentyl-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-yl)-5-N-(pyrrolidin-3-ylmethyl)pyridine-2,5-diamine with MolForge

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Related Compounds

8-cyclohexyl-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 58299868
N-[5-[4-(dimethylamino)piperidin-1-yl]-2-pyridinyl]-8-[(3R)-pyrrolidin-3-yl]-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine
CID 58300087
N-[5-(4-aminopiperidin-1-yl)pyrazin-2-yl]-8-cyclopentyl-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine
CID 58299911
8-cyclopentyl-N-(5-methyl-6-piperazin-1-yl-3-pyridinyl)-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine
CID 58299874
8-cyclobutyl-N-[5-[4-(methylamino)piperidin-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 58300161
8-cyclopentyl-N-[5-[3-(dimethylamino)-8-azabicyclo[3.2.1]octan-8-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 58299795
3-N-(8-cyclopentyl-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,12-pentaen-5-yl)-6-N-(pyrrolidin-3-ylmethyl)pyridazine-3,6-diamine
CID 70991587
(3S)-1-[1-[6-[(8-cyclopentyl-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-yl)amino]-3-pyridinyl]piperidin-4-yl]pyrrolidin-3-ol
CID 58300218
(3R)-1-[1-[6-[(8-cyclopentyl-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-yl)amino]-3-pyridinyl]piperidin-4-yl]pyrrolidin-3-ol
CID 70991601
2-[[6-[(8-cyclopentyl-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-yl)amino]pyridazin-3-yl]-methylamino]ethanol
CID 58299839
8-cyclopentyl-N-[6-[4-(diethylamino)piperidin-1-yl]pyridazin-3-yl]-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine
CID 58299725
8-cyclohexyl-N-[6-[4-(dimethylamino)piperidin-1-yl]pyridazin-3-yl]-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine
CID 143829618

Frequently Asked Questions

What is the IUPAC name of 2-N-(8-cyclopentyl-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-yl)-5-N-(pyrrolidin-3-ylmethyl)pyridine-2,5-diamine?
The IUPAC name of 2-N-(8-cyclopentyl-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-yl)-5-N-(pyrrolidin-3-ylmethyl)pyridine-2,5-diamine (CID 58300178) is 2-N-(8-cyclopentyl-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-yl)-5-N-(pyrrolidin-3-ylmethyl)pyridine-2,5-diamine.
What is the SMILES notation for 2-N-(8-cyclopentyl-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-yl)-5-N-(pyrrolidin-3-ylmethyl)pyridine-2,5-diamine?
The canonical SMILES for 2-N-(8-cyclopentyl-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-yl)-5-N-(pyrrolidin-3-ylmethyl)pyridine-2,5-diamine is c1cc2c3cnc(Nc4ccc(NCC5CCNC5)cn4)nc3n(C3CCCC3)c2cn1.
What is the InChIKey of 2-N-(8-cyclopentyl-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-yl)-5-N-(pyrrolidin-3-ylmethyl)pyridine-2,5-diamine?
The InChIKey is AADALVDVXCAFCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N8/c1-2-4-18(3-1)32-21-15-26-10-8-19(21)20-14-29-24(31-23(20)32)30-22-6-5-17(13-28-22)27-12-16-7-9-25-11-16/h5-6,8,10,13-16,18,25,27H,1-4,7,9,11-12H2,(H,28,29,30,31).
What are the key properties of 2-N-(8-cyclopentyl-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-yl)-5-N-(pyrrolidin-3-ylmethyl)pyridine-2,5-diamine?
2-N-(8-cyclopentyl-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-yl)-5-N-(pyrrolidin-3-ylmethyl)pyridine-2,5-diamine has a molecular weight of 428.54 g/mol, XLogP of 4.25, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(8-cyclopentyl-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-yl)-5-N-(pyrrolidin-3-ylmethyl)pyridine-2,5-diamine is sourced from PubChem (CID 58300178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).