(4aS,10bS)-1-[[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]-3,4,4a,5,6,10b-hexahydro-2H-1,10-phenanthroline

C25H32N6 — CID 11855709

IUPAC(4aS,10bS)-1-[[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]-3,4,4a,5,6,10b-hexahydro-2H-1,10-phenanthroline
SMILESCN1CCN(c2cccc3nc(CN4CCC[C@@H]5CCc6cccnc6[C@H]54)cn23)CC1
InChIInChI=1S/C25H32N6/c1-28-13-15-29(16-14-28)23-8-2-7-22-27-21(18-31(22)23)17-30-12-4-6-20-10-9-19-5-3-11-26-24(19)25(20)30/h2-3,5,7-8,11,18,20,25H,4,6,9-10,12-17H2,1H3/t20-,25+/m1/s1
InChIKeyDEIGWGYLOIKCSS-NLFFAJNJSA-N
MW416.57 g/mol
LogP3.38
Rot. Bonds3

About (4aS,10bS)-1-[[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]-3,4,4a,5,6,10b-hexahydro-2H-1,10-phenanthroline

(4aS,10bS)-1-[[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]-3,4,4a,5,6,10b-hexahydro-2H-1,10-phenanthroline (PubChem CID 11855709) has the molecular formula C25H32N6 and a molecular weight of 416.57 g/mol. Its IUPAC name is (4aS,10bS)-1-[[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]-3,4,4a,5,6,10b-hexahydro-2H-1,10-phenanthroline.

Molecular Properties

Compound Name(4aS,10bS)-1-[[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]-3,4,4a,5,6,10b-hexahydro-2H-1,10-phenanthroline
PubChem CID11855709
Molecular FormulaC25H32N6
Molecular Weight416.57 g/mol
Exact Mass416.27
IUPAC Name(4aS,10bS)-1-[[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]-3,4,4a,5,6,10b-hexahydro-2H-1,10-phenanthroline
SMILESCN1CCN(c2cccc3nc(CN4CCC[C@@H]5CCc6cccnc6[C@H]54)cn23)CC1
InChIInChI=1S/C25H32N6/c1-28-13-15-29(16-14-28)23-8-2-7-22-27-21(18-31(22)23)17-30-12-4-6-20-10-9-19-5-3-11-26-24(19)25(20)30/h2-3,5,7-8,11,18,20,25H,4,6,9-10,12-17H2,1H3/t20-,25+/m1/s1
InChIKeyDEIGWGYLOIKCSS-NLFFAJNJSA-N
XLogP3.38
TPSA39.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.57
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (4aS,10bS)-1-[[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]-3,4,4a,5,6,10b-hexahydro-2H-1,10-phenanthroline with MolForge

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Related Compounds

CID 11718722
CID 11718722
CID 667720
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CID 58880626
CID 58880626
CID 10133248
CID 10133248
CID 24801862
CID 24801862
CID 24779760
CID 24779760
CID 5329339
CID 5329339
CID 5329340
CID 5329340
CID 5329341
CID 5329341
CID 5329354
CID 5329354
CID 16214946
CID 16214946
CID 156073186
CID 156073186

Frequently Asked Questions

What is the IUPAC name of (4aS,10bS)-1-[[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]-3,4,4a,5,6,10b-hexahydro-2H-1,10-phenanthroline?
The IUPAC name of (4aS,10bS)-1-[[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]-3,4,4a,5,6,10b-hexahydro-2H-1,10-phenanthroline (CID 11855709) is (4aS,10bS)-1-[[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]-3,4,4a,5,6,10b-hexahydro-2H-1,10-phenanthroline.
What is the SMILES notation for (4aS,10bS)-1-[[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]-3,4,4a,5,6,10b-hexahydro-2H-1,10-phenanthroline?
The canonical SMILES for (4aS,10bS)-1-[[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]-3,4,4a,5,6,10b-hexahydro-2H-1,10-phenanthroline is CN1CCN(c2cccc3nc(CN4CCC[C@@H]5CCc6cccnc6[C@H]54)cn23)CC1.
What is the InChIKey of (4aS,10bS)-1-[[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]-3,4,4a,5,6,10b-hexahydro-2H-1,10-phenanthroline?
The InChIKey is DEIGWGYLOIKCSS-NLFFAJNJSA-N. The full InChI is InChI=1S/C25H32N6/c1-28-13-15-29(16-14-28)23-8-2-7-22-27-21(18-31(22)23)17-30-12-4-6-20-10-9-19-5-3-11-26-24(19)25(20)30/h2-3,5,7-8,11,18,20,25H,4,6,9-10,12-17H2,1H3/t20-,25+/m1/s1.
What are the key properties of (4aS,10bS)-1-[[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]-3,4,4a,5,6,10b-hexahydro-2H-1,10-phenanthroline?
(4aS,10bS)-1-[[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]-3,4,4a,5,6,10b-hexahydro-2H-1,10-phenanthroline has a molecular weight of 416.57 g/mol, XLogP of 3.38, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4aS,10bS)-1-[[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]-3,4,4a,5,6,10b-hexahydro-2H-1,10-phenanthroline is sourced from PubChem (CID 11855709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).