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-dimethylpiperidin-4-amine

C27H36N6 — CID 11857046

IUPAC1-[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-dimethylpiperidin-4-amine
SMILESCN(C)C1CCN(c2cccc3nc(CN4CCC[C@H]5CCc6cccnc6[C@H]54)cn23)CC1
InChIInChI=1S/C27H36N6/c1-30(2)23-12-16-31(17-13-23)25-9-3-8-24-29-22(19-33(24)25)18-32-15-5-7-21-11-10-20-6-4-14-28-26(20)27(21)32/h3-4,6,8-9,14,19,21,23,27H,5,7,10-13,15-18H2,1-2H3/t21-,27-/m0/s1
InChIKeyHUYIEGWEZYIWGO-IDISGSTGSA-N
MW444.63 g/mol
LogP4.16
Rot. Bonds4

About 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-dimethylpiperidin-4-amine

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-dimethylpiperidin-4-amine (PubChem CID 11857046) has the molecular formula C27H36N6 and a molecular weight of 444.63 g/mol. Its IUPAC name is 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-dimethylpiperidin-4-amine.

Molecular Properties

Compound Name1-[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-dimethylpiperidin-4-amine
PubChem CID11857046
Molecular FormulaC27H36N6
Molecular Weight444.63 g/mol
Exact Mass444.30
IUPAC Name1-[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-dimethylpiperidin-4-amine
SMILESCN(C)C1CCN(c2cccc3nc(CN4CCC[C@H]5CCc6cccnc6[C@H]54)cn23)CC1
InChIInChI=1S/C27H36N6/c1-30(2)23-12-16-31(17-13-23)25-9-3-8-24-29-22(19-33(24)25)18-32-15-5-7-21-11-10-20-6-4-14-28-26(20)27(21)32/h3-4,6,8-9,14,19,21,23,27H,5,7,10-13,15-18H2,1-2H3/t21-,27-/m0/s1
InChIKeyHUYIEGWEZYIWGO-IDISGSTGSA-N
XLogP4.16
TPSA39.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.63
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 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-dimethylpiperidin-4-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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-dimethylpiperidin-4-amine?
The IUPAC name of 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-dimethylpiperidin-4-amine (CID 11857046) is 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-dimethylpiperidin-4-amine.
What is the SMILES notation for 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-dimethylpiperidin-4-amine?
The canonical SMILES for 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-dimethylpiperidin-4-amine is CN(C)C1CCN(c2cccc3nc(CN4CCC[C@H]5CCc6cccnc6[C@H]54)cn23)CC1.
What is the InChIKey of 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-dimethylpiperidin-4-amine?
The InChIKey is HUYIEGWEZYIWGO-IDISGSTGSA-N. The full InChI is InChI=1S/C27H36N6/c1-30(2)23-12-16-31(17-13-23)25-9-3-8-24-29-22(19-33(24)25)18-32-15-5-7-21-11-10-20-6-4-14-28-26(20)27(21)32/h3-4,6,8-9,14,19,21,23,27H,5,7,10-13,15-18H2,1-2H3/t21-,27-/m0/s1.
What are the key properties of 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-dimethylpiperidin-4-amine?
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-dimethylpiperidin-4-amine has a molecular weight of 444.63 g/mol, XLogP of 4.16, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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-dimethylpiperidin-4-amine is sourced from PubChem (CID 11857046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).