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

C27H35N9 — CID 58299725

IUPAC8-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
SMILESCCN(CC)C1CCN(c2ccc(Nc3ncc4c5ccncc5n(C5CCCC5)c4n3)nn2)CC1
InChIInChI=1S/C27H35N9/c1-3-34(4-2)19-12-15-35(16-13-19)25-10-9-24(32-33-25)30-27-29-17-22-21-11-14-28-18-23(21)36(26(22)31-27)20-7-5-6-8-20/h9-11,14,17-20H,3-8,12-13,15-16H2,1-2H3,(H,29,30,31,32)
InChIKeyNOUVQMCOTSOPTN-UHFFFAOYSA-N
MW485.64 g/mol
LogP4.94
Rot. Bonds7

About 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

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 (PubChem CID 58299725) has the molecular formula C27H35N9 and a molecular weight of 485.64 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name8-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
PubChem CID58299725
Molecular FormulaC27H35N9
Molecular Weight485.64 g/mol
Exact Mass485.30
IUPAC Name8-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
SMILESCCN(CC)C1CCN(c2ccc(Nc3ncc4c5ccncc5n(C5CCCC5)c4n3)nn2)CC1
InChIInChI=1S/C27H35N9/c1-3-34(4-2)19-12-15-35(16-13-19)25-10-9-24(32-33-25)30-27-29-17-22-21-11-14-28-18-23(21)36(26(22)31-27)20-7-5-6-8-20/h9-11,14,17-20H,3-8,12-13,15-16H2,1-2H3,(H,29,30,31,32)
InChIKeyNOUVQMCOTSOPTN-UHFFFAOYSA-N
XLogP4.94
TPSA87.89 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.64
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 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 with MolForge

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Related Compounds

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
N-[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]pyridazin-3-yl]piperidin-4-yl]-N',N'-dimethylethane-1,2-diamine
CID 58300201
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]pyridazin-3-yl]-3-(dimethylamino)piperidin-4-ol
CID 58300066
N-[6-[(3R)-3-[tert-butyl(dimethyl)silyl]oxypyrrolidin-1-yl]pyridazin-3-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 58300000
N-[6-(4-aminopiperidin-1-yl)pyridazin-3-yl]-9-cyclopentylpyrimido[4,5-b]indol-2-amine
CID 58300148
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
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
cis-(1R,2S)-2-[5-[(6-piperazin-1-ylpyridazin-3-yl)amino]-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-8-yl]cyclopentan-1-ol
CID 58300014
trans-(1S,2S)-2-[5-[(6-piperazin-1-ylpyridazin-3-yl)amino]-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-8-yl]cyclopentan-1-ol
CID 58299556
8-cyclopentyl-N-[5-[4-(diethylamino)piperidin-1-yl]-2-pyridinyl]-10-fluoro-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine
CID 58300132
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-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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCN(CC)C1CCN(c2ccc(Nc3ncc4c5ccncc5n(C5CCCC5)c4n3)nn2)CC1.
What is the InChIKey of 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?
The InChIKey is NOUVQMCOTSOPTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35N9/c1-3-34(4-2)19-12-15-35(16-13-19)25-10-9-24(32-33-25)30-27-29-17-22-21-11-14-28-18-23(21)36(26(22)31-27)20-7-5-6-8-20/h9-11,14,17-20H,3-8,12-13,15-16H2,1-2H3,(H,29,30,31,32).
What are the key properties of 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?
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 has a molecular weight of 485.64 g/mol, XLogP of 4.94, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 58299725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).