(3R)-1-[2-[[(4aR,10bS)-3,4,4a,5,6,10b-hexahydro-2H-1,10-phenanthrolin-1-yl]methyl]imidazo[1,2-a]pyridin-5-yl]-N,N-dimethylpyrrolidin-3-amine

C26H34N6 — CID 11851568

IUPAC(3R)-1-[2-[[(4aR,10bS)-3,4,4a,5,6,10b-hexahydro-2H-1,10-phenanthrolin-1-yl]methyl]imidazo[1,2-a]pyridin-5-yl]-N,N-dimethylpyrrolidin-3-amine
SMILESCN(C)[C@@H]1CCN(c2cccc3nc(CN4CCC[C@H]5CCc6cccnc6[C@H]54)cn23)C1
InChIInChI=1S/C26H34N6/c1-29(2)22-12-15-30(18-22)24-9-3-8-23-28-21(17-32(23)24)16-31-14-5-7-20-11-10-19-6-4-13-27-25(19)26(20)31/h3-4,6,8-9,13,17,20,22,26H,5,7,10-12,14-16,18H2,1-2H3/t20-,22+,26-/m0/s1
InChIKeyAUTULOUVQMXQFP-HXAGEGRHSA-N
MW430.60 g/mol
LogP3.77
Rot. Bonds4

About (3R)-1-[2-[[(4aR,10bS)-3,4,4a,5,6,10b-hexahydro-2H-1,10-phenanthrolin-1-yl]methyl]imidazo[1,2-a]pyridin-5-yl]-N,N-dimethylpyrrolidin-3-amine

(3R)-1-[2-[[(4aR,10bS)-3,4,4a,5,6,10b-hexahydro-2H-1,10-phenanthrolin-1-yl]methyl]imidazo[1,2-a]pyridin-5-yl]-N,N-dimethylpyrrolidin-3-amine (PubChem CID 11851568) has the molecular formula C26H34N6 and a molecular weight of 430.60 g/mol. Its IUPAC name is (3R)-1-[2-[[(4aR,10bS)-3,4,4a,5,6,10b-hexahydro-2H-1,10-phenanthrolin-1-yl]methyl]imidazo[1,2-a]pyridin-5-yl]-N,N-dimethylpyrrolidin-3-amine.

Molecular Properties

Compound Name(3R)-1-[2-[[(4aR,10bS)-3,4,4a,5,6,10b-hexahydro-2H-1,10-phenanthrolin-1-yl]methyl]imidazo[1,2-a]pyridin-5-yl]-N,N-dimethylpyrrolidin-3-amine
PubChem CID11851568
Molecular FormulaC26H34N6
Molecular Weight430.60 g/mol
Exact Mass430.28
IUPAC Name(3R)-1-[2-[[(4aR,10bS)-3,4,4a,5,6,10b-hexahydro-2H-1,10-phenanthrolin-1-yl]methyl]imidazo[1,2-a]pyridin-5-yl]-N,N-dimethylpyrrolidin-3-amine
SMILESCN(C)[C@@H]1CCN(c2cccc3nc(CN4CCC[C@H]5CCc6cccnc6[C@H]54)cn23)C1
InChIInChI=1S/C26H34N6/c1-29(2)22-12-15-30(18-22)24-9-3-8-23-28-21(17-32(23)24)16-31-14-5-7-20-11-10-19-6-4-13-27-25(19)26(20)31/h3-4,6,8-9,13,17,20,22,26H,5,7,10-12,14-16,18H2,1-2H3/t20-,22+,26-/m0/s1
InChIKeyAUTULOUVQMXQFP-HXAGEGRHSA-N
XLogP3.77
TPSA39.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.60
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (3R)-1-[2-[[(4aR,10bS)-3,4,4a,5,6,10b-hexahydro-2H-1,10-phenanthrolin-1-yl]methyl]imidazo[1,2-a]pyridin-5-yl]-N,N-dimethylpyrrolidin-3-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-[2-[[(4aR,10bS)-3,4,4a,5,6,10b-hexahydro-2H-1,10-phenanthrolin-1-yl]methyl]imidazo[1,2-a]pyridin-5-yl]-N,N-dimethylpyrrolidin-3-amine?
The IUPAC name of (3R)-1-[2-[[(4aR,10bS)-3,4,4a,5,6,10b-hexahydro-2H-1,10-phenanthrolin-1-yl]methyl]imidazo[1,2-a]pyridin-5-yl]-N,N-dimethylpyrrolidin-3-amine (CID 11851568) is (3R)-1-[2-[[(4aR,10bS)-3,4,4a,5,6,10b-hexahydro-2H-1,10-phenanthrolin-1-yl]methyl]imidazo[1,2-a]pyridin-5-yl]-N,N-dimethylpyrrolidin-3-amine.
What is the SMILES notation for (3R)-1-[2-[[(4aR,10bS)-3,4,4a,5,6,10b-hexahydro-2H-1,10-phenanthrolin-1-yl]methyl]imidazo[1,2-a]pyridin-5-yl]-N,N-dimethylpyrrolidin-3-amine?
The canonical SMILES for (3R)-1-[2-[[(4aR,10bS)-3,4,4a,5,6,10b-hexahydro-2H-1,10-phenanthrolin-1-yl]methyl]imidazo[1,2-a]pyridin-5-yl]-N,N-dimethylpyrrolidin-3-amine is CN(C)[C@@H]1CCN(c2cccc3nc(CN4CCC[C@H]5CCc6cccnc6[C@H]54)cn23)C1.
What is the InChIKey of (3R)-1-[2-[[(4aR,10bS)-3,4,4a,5,6,10b-hexahydro-2H-1,10-phenanthrolin-1-yl]methyl]imidazo[1,2-a]pyridin-5-yl]-N,N-dimethylpyrrolidin-3-amine?
The InChIKey is AUTULOUVQMXQFP-HXAGEGRHSA-N. The full InChI is InChI=1S/C26H34N6/c1-29(2)22-12-15-30(18-22)24-9-3-8-23-28-21(17-32(23)24)16-31-14-5-7-20-11-10-19-6-4-13-27-25(19)26(20)31/h3-4,6,8-9,13,17,20,22,26H,5,7,10-12,14-16,18H2,1-2H3/t20-,22+,26-/m0/s1.
What are the key properties of (3R)-1-[2-[[(4aR,10bS)-3,4,4a,5,6,10b-hexahydro-2H-1,10-phenanthrolin-1-yl]methyl]imidazo[1,2-a]pyridin-5-yl]-N,N-dimethylpyrrolidin-3-amine?
(3R)-1-[2-[[(4aR,10bS)-3,4,4a,5,6,10b-hexahydro-2H-1,10-phenanthrolin-1-yl]methyl]imidazo[1,2-a]pyridin-5-yl]-N,N-dimethylpyrrolidin-3-amine has a molecular weight of 430.60 g/mol, XLogP of 3.77, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[2-[[(4aR,10bS)-3,4,4a,5,6,10b-hexahydro-2H-1,10-phenanthrolin-1-yl]methyl]imidazo[1,2-a]pyridin-5-yl]-N,N-dimethylpyrrolidin-3-amine is sourced from PubChem (CID 11851568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).