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

C30H40N6 — CID 11853379

IUPAC(4aR,10bS)-1-[[5-(4-piperidin-1-ylpiperidin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]-3,4,4a,5,6,10b-hexahydro-2H-1,10-phenanthroline
SMILESc1cnc2c(c1)CC[C@@H]1CCCN(Cc3cn4c(N5CCC(N6CCCCC6)CC5)cccc4n3)[C@H]21
InChIInChI=1S/C30H40N6/c1-2-16-33(17-3-1)26-13-19-34(20-14-26)28-10-4-9-27-32-25(22-36(27)28)21-35-18-6-8-24-12-11-23-7-5-15-31-29(23)30(24)35/h4-5,7,9-10,15,22,24,26,30H,1-3,6,8,11-14,16-21H2/t24-,30-/m0/s1
InChIKeyHWQIPHRZSKOATK-NGQVCNFZSA-N
MW484.69 g/mol
LogP5.08
Rot. Bonds4

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

(4aR,10bS)-1-[[5-(4-piperidin-1-ylpiperidin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]-3,4,4a,5,6,10b-hexahydro-2H-1,10-phenanthroline (PubChem CID 11853379) has the molecular formula C30H40N6 and a molecular weight of 484.69 g/mol. Its IUPAC name is (4aR,10bS)-1-[[5-(4-piperidin-1-ylpiperidin-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(4aR,10bS)-1-[[5-(4-piperidin-1-ylpiperidin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]-3,4,4a,5,6,10b-hexahydro-2H-1,10-phenanthroline
PubChem CID11853379
Molecular FormulaC30H40N6
Molecular Weight484.69 g/mol
Exact Mass484.33
IUPAC Name(4aR,10bS)-1-[[5-(4-piperidin-1-ylpiperidin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]-3,4,4a,5,6,10b-hexahydro-2H-1,10-phenanthroline
SMILESc1cnc2c(c1)CC[C@@H]1CCCN(Cc3cn4c(N5CCC(N6CCCCC6)CC5)cccc4n3)[C@H]21
InChIInChI=1S/C30H40N6/c1-2-16-33(17-3-1)26-13-19-34(20-14-26)28-10-4-9-27-32-25(22-36(27)28)21-35-18-6-8-24-12-11-23-7-5-15-31-29(23)30(24)35/h4-5,7,9-10,15,22,24,26,30H,1-3,6,8,11-14,16-21H2/t24-,30-/m0/s1
InChIKeyHWQIPHRZSKOATK-NGQVCNFZSA-N
XLogP5.08
TPSA39.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.69
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (4aR,10bS)-1-[[5-(4-piperidin-1-ylpiperidin-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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Frequently Asked Questions

What is the IUPAC name of (4aR,10bS)-1-[[5-(4-piperidin-1-ylpiperidin-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 (4aR,10bS)-1-[[5-(4-piperidin-1-ylpiperidin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]-3,4,4a,5,6,10b-hexahydro-2H-1,10-phenanthroline (CID 11853379) is (4aR,10bS)-1-[[5-(4-piperidin-1-ylpiperidin-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 (4aR,10bS)-1-[[5-(4-piperidin-1-ylpiperidin-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 (4aR,10bS)-1-[[5-(4-piperidin-1-ylpiperidin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]-3,4,4a,5,6,10b-hexahydro-2H-1,10-phenanthroline is c1cnc2c(c1)CC[C@@H]1CCCN(Cc3cn4c(N5CCC(N6CCCCC6)CC5)cccc4n3)[C@H]21.
What is the InChIKey of (4aR,10bS)-1-[[5-(4-piperidin-1-ylpiperidin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]-3,4,4a,5,6,10b-hexahydro-2H-1,10-phenanthroline?
The InChIKey is HWQIPHRZSKOATK-NGQVCNFZSA-N. The full InChI is InChI=1S/C30H40N6/c1-2-16-33(17-3-1)26-13-19-34(20-14-26)28-10-4-9-27-32-25(22-36(27)28)21-35-18-6-8-24-12-11-23-7-5-15-31-29(23)30(24)35/h4-5,7,9-10,15,22,24,26,30H,1-3,6,8,11-14,16-21H2/t24-,30-/m0/s1.
What are the key properties of (4aR,10bS)-1-[[5-(4-piperidin-1-ylpiperidin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]-3,4,4a,5,6,10b-hexahydro-2H-1,10-phenanthroline?
(4aR,10bS)-1-[[5-(4-piperidin-1-ylpiperidin-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 484.69 g/mol, XLogP of 5.08, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4aR,10bS)-1-[[5-(4-piperidin-1-ylpiperidin-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 11853379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).