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

C27H36N6 — CID 11853382

IUPAC2-[[(4aR,10bS)-3,4,4a,5,6,10b-hexahydro-2H-1,10-phenanthrolin-1-yl]methyl]-N-methyl-N-(1-methylpiperidin-4-yl)imidazo[1,2-a]pyridin-5-amine
SMILESCN1CCC(N(C)c2cccc3nc(CN4CCC[C@H]5CCc6cccnc6[C@H]54)cn23)CC1
InChIInChI=1S/C27H36N6/c1-30-16-12-23(13-17-30)31(2)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
InChIKeyMCUQDGOWDVSXPT-IDISGSTGSA-N
MW444.63 g/mol
LogP4.16
Rot. Bonds4

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

2-[[(4aR,10bS)-3,4,4a,5,6,10b-hexahydro-2H-1,10-phenanthrolin-1-yl]methyl]-N-methyl-N-(1-methylpiperidin-4-yl)imidazo[1,2-a]pyridin-5-amine (PubChem CID 11853382) has the molecular formula C27H36N6 and a molecular weight of 444.63 g/mol. Its IUPAC name is 2-[[(4aR,10bS)-3,4,4a,5,6,10b-hexahydro-2H-1,10-phenanthrolin-1-yl]methyl]-N-methyl-N-(1-methylpiperidin-4-yl)imidazo[1,2-a]pyridin-5-amine.

Molecular Properties

Compound Name2-[[(4aR,10bS)-3,4,4a,5,6,10b-hexahydro-2H-1,10-phenanthrolin-1-yl]methyl]-N-methyl-N-(1-methylpiperidin-4-yl)imidazo[1,2-a]pyridin-5-amine
PubChem CID11853382
Molecular FormulaC27H36N6
Molecular Weight444.63 g/mol
Exact Mass444.30
IUPAC Name2-[[(4aR,10bS)-3,4,4a,5,6,10b-hexahydro-2H-1,10-phenanthrolin-1-yl]methyl]-N-methyl-N-(1-methylpiperidin-4-yl)imidazo[1,2-a]pyridin-5-amine
SMILESCN1CCC(N(C)c2cccc3nc(CN4CCC[C@H]5CCc6cccnc6[C@H]54)cn23)CC1
InChIInChI=1S/C27H36N6/c1-30-16-12-23(13-17-30)31(2)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
InChIKeyMCUQDGOWDVSXPT-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 2-[[(4aR,10bS)-3,4,4a,5,6,10b-hexahydro-2H-1,10-phenanthrolin-1-yl]methyl]-N-methyl-N-(1-methylpiperidin-4-yl)imidazo[1,2-a]pyridin-5-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[[(4aR,10bS)-3,4,4a,5,6,10b-hexahydro-2H-1,10-phenanthrolin-1-yl]methyl]-N-methyl-N-(1-methylpiperidin-4-yl)imidazo[1,2-a]pyridin-5-amine?
The IUPAC name of 2-[[(4aR,10bS)-3,4,4a,5,6,10b-hexahydro-2H-1,10-phenanthrolin-1-yl]methyl]-N-methyl-N-(1-methylpiperidin-4-yl)imidazo[1,2-a]pyridin-5-amine (CID 11853382) is 2-[[(4aR,10bS)-3,4,4a,5,6,10b-hexahydro-2H-1,10-phenanthrolin-1-yl]methyl]-N-methyl-N-(1-methylpiperidin-4-yl)imidazo[1,2-a]pyridin-5-amine.
What is the SMILES notation for 2-[[(4aR,10bS)-3,4,4a,5,6,10b-hexahydro-2H-1,10-phenanthrolin-1-yl]methyl]-N-methyl-N-(1-methylpiperidin-4-yl)imidazo[1,2-a]pyridin-5-amine?
The canonical SMILES for 2-[[(4aR,10bS)-3,4,4a,5,6,10b-hexahydro-2H-1,10-phenanthrolin-1-yl]methyl]-N-methyl-N-(1-methylpiperidin-4-yl)imidazo[1,2-a]pyridin-5-amine is CN1CCC(N(C)c2cccc3nc(CN4CCC[C@H]5CCc6cccnc6[C@H]54)cn23)CC1.
What is the InChIKey of 2-[[(4aR,10bS)-3,4,4a,5,6,10b-hexahydro-2H-1,10-phenanthrolin-1-yl]methyl]-N-methyl-N-(1-methylpiperidin-4-yl)imidazo[1,2-a]pyridin-5-amine?
The InChIKey is MCUQDGOWDVSXPT-IDISGSTGSA-N. The full InChI is InChI=1S/C27H36N6/c1-30-16-12-23(13-17-30)31(2)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 2-[[(4aR,10bS)-3,4,4a,5,6,10b-hexahydro-2H-1,10-phenanthrolin-1-yl]methyl]-N-methyl-N-(1-methylpiperidin-4-yl)imidazo[1,2-a]pyridin-5-amine?
2-[[(4aR,10bS)-3,4,4a,5,6,10b-hexahydro-2H-1,10-phenanthrolin-1-yl]methyl]-N-methyl-N-(1-methylpiperidin-4-yl)imidazo[1,2-a]pyridin-5-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 2-[[(4aR,10bS)-3,4,4a,5,6,10b-hexahydro-2H-1,10-phenanthrolin-1-yl]methyl]-N-methyl-N-(1-methylpiperidin-4-yl)imidazo[1,2-a]pyridin-5-amine is sourced from PubChem (CID 11853382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).