8-cyclohexyl-6-[(3R)-4-(imidazo[1,2-a]pyridine-3-carbonyl)-3-methylpiperazin-1-yl]-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile

C28H32N6O2 — CID 90283016

IUPAC8-cyclohexyl-6-[(3R)-4-(imidazo[1,2-a]pyridine-3-carbonyl)-3-methylpiperazin-1-yl]-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile
SMILESC[C@@H]1CN(c2nc(C3CCCCC3)c3c(c2C#N)CCOC3)CCN1C(=O)c1cnc2ccccn12
InChIInChI=1S/C28H32N6O2/c1-19-17-32(12-13-33(19)28(35)24-16-30-25-9-5-6-11-34(24)25)27-22(15-29)21-10-14-36-18-23(21)26(31-27)20-7-3-2-4-8-20/h5-6,9,11,16,19-20H,2-4,7-8,10,12-14,17-18H2,1H3/t19-/m1/s1
InChIKeyGBISPMUROKWYRF-LJQANCHMSA-N
MW484.60 g/mol
LogP4.07
Rot. Bonds3

About 8-cyclohexyl-6-[(3R)-4-(imidazo[1,2-a]pyridine-3-carbonyl)-3-methylpiperazin-1-yl]-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile

8-cyclohexyl-6-[(3R)-4-(imidazo[1,2-a]pyridine-3-carbonyl)-3-methylpiperazin-1-yl]-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile (PubChem CID 90283016) has the molecular formula C28H32N6O2 and a molecular weight of 484.60 g/mol. Its IUPAC name is 8-cyclohexyl-6-[(3R)-4-(imidazo[1,2-a]pyridine-3-carbonyl)-3-methylpiperazin-1-yl]-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile.

Molecular Properties

Compound Name8-cyclohexyl-6-[(3R)-4-(imidazo[1,2-a]pyridine-3-carbonyl)-3-methylpiperazin-1-yl]-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile
PubChem CID90283016
Molecular FormulaC28H32N6O2
Molecular Weight484.60 g/mol
Exact Mass484.26
IUPAC Name8-cyclohexyl-6-[(3R)-4-(imidazo[1,2-a]pyridine-3-carbonyl)-3-methylpiperazin-1-yl]-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile
SMILESC[C@@H]1CN(c2nc(C3CCCCC3)c3c(c2C#N)CCOC3)CCN1C(=O)c1cnc2ccccn12
InChIInChI=1S/C28H32N6O2/c1-19-17-32(12-13-33(19)28(35)24-16-30-25-9-5-6-11-34(24)25)27-22(15-29)21-10-14-36-18-23(21)26(31-27)20-7-3-2-4-8-20/h5-6,9,11,16,19-20H,2-4,7-8,10,12-14,17-18H2,1H3/t19-/m1/s1
InChIKeyGBISPMUROKWYRF-LJQANCHMSA-N
XLogP4.07
TPSA86.76 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.60
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 8-cyclohexyl-6-[(3R)-4-(imidazo[1,2-a]pyridine-3-carbonyl)-3-methylpiperazin-1-yl]-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile?
The IUPAC name of 8-cyclohexyl-6-[(3R)-4-(imidazo[1,2-a]pyridine-3-carbonyl)-3-methylpiperazin-1-yl]-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile (CID 90283016) is 8-cyclohexyl-6-[(3R)-4-(imidazo[1,2-a]pyridine-3-carbonyl)-3-methylpiperazin-1-yl]-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile.
What is the SMILES notation for 8-cyclohexyl-6-[(3R)-4-(imidazo[1,2-a]pyridine-3-carbonyl)-3-methylpiperazin-1-yl]-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile?
The canonical SMILES for 8-cyclohexyl-6-[(3R)-4-(imidazo[1,2-a]pyridine-3-carbonyl)-3-methylpiperazin-1-yl]-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile is C[C@@H]1CN(c2nc(C3CCCCC3)c3c(c2C#N)CCOC3)CCN1C(=O)c1cnc2ccccn12.
What is the InChIKey of 8-cyclohexyl-6-[(3R)-4-(imidazo[1,2-a]pyridine-3-carbonyl)-3-methylpiperazin-1-yl]-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile?
The InChIKey is GBISPMUROKWYRF-LJQANCHMSA-N. The full InChI is InChI=1S/C28H32N6O2/c1-19-17-32(12-13-33(19)28(35)24-16-30-25-9-5-6-11-34(24)25)27-22(15-29)21-10-14-36-18-23(21)26(31-27)20-7-3-2-4-8-20/h5-6,9,11,16,19-20H,2-4,7-8,10,12-14,17-18H2,1H3/t19-/m1/s1.
What are the key properties of 8-cyclohexyl-6-[(3R)-4-(imidazo[1,2-a]pyridine-3-carbonyl)-3-methylpiperazin-1-yl]-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile?
8-cyclohexyl-6-[(3R)-4-(imidazo[1,2-a]pyridine-3-carbonyl)-3-methylpiperazin-1-yl]-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile has a molecular weight of 484.60 g/mol, XLogP of 4.07, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclohexyl-6-[(3R)-4-(imidazo[1,2-a]pyridine-3-carbonyl)-3-methylpiperazin-1-yl]-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile is sourced from PubChem (CID 90283016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).