5-[6-[4-[[6-(1-fluoroethyl)-3-pyridinyl]oxy]piperidin-1-yl]-3-pyridinyl]-7-[(1-hydroxycyclopropyl)methoxy]imidazo[1,2-a]pyridine-3-carbonitrile

C29H29FN6O3 — CID 163643772

IUPAC5-[6-[4-[[6-(1-fluoroethyl)-3-pyridinyl]oxy]piperidin-1-yl]-3-pyridinyl]-7-[(1-hydroxycyclopropyl)methoxy]imidazo[1,2-a]pyridine-3-carbonitrile
SMILESCC(F)c1ccc(OC2CCN(c3ccc(-c4cc(OCC5(O)CC5)cc5ncc(C#N)n45)cn3)CC2)cn1
InChIInChI=1S/C29H29FN6O3/c1-19(30)25-4-3-23(17-32-25)39-22-6-10-35(11-7-22)27-5-2-20(15-33-27)26-12-24(38-18-29(37)8-9-29)13-28-34-16-21(14-31)36(26)28/h2-5,12-13,15-17,19,22,37H,6-11,18H2,1H3
InChIKeyMYEIMMSRHZEXAY-UHFFFAOYSA-N
MW528.59 g/mol
LogP4.64
Rot. Bonds8

About 5-[6-[4-[[6-(1-fluoroethyl)-3-pyridinyl]oxy]piperidin-1-yl]-3-pyridinyl]-7-[(1-hydroxycyclopropyl)methoxy]imidazo[1,2-a]pyridine-3-carbonitrile

5-[6-[4-[[6-(1-fluoroethyl)-3-pyridinyl]oxy]piperidin-1-yl]-3-pyridinyl]-7-[(1-hydroxycyclopropyl)methoxy]imidazo[1,2-a]pyridine-3-carbonitrile (PubChem CID 163643772) has the molecular formula C29H29FN6O3 and a molecular weight of 528.59 g/mol. Its IUPAC name is 5-[6-[4-[[6-(1-fluoroethyl)-3-pyridinyl]oxy]piperidin-1-yl]-3-pyridinyl]-7-[(1-hydroxycyclopropyl)methoxy]imidazo[1,2-a]pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-[6-[4-[[6-(1-fluoroethyl)-3-pyridinyl]oxy]piperidin-1-yl]-3-pyridinyl]-7-[(1-hydroxycyclopropyl)methoxy]imidazo[1,2-a]pyridine-3-carbonitrile
PubChem CID163643772
Molecular FormulaC29H29FN6O3
Molecular Weight528.59 g/mol
Exact Mass528.23
IUPAC Name5-[6-[4-[[6-(1-fluoroethyl)-3-pyridinyl]oxy]piperidin-1-yl]-3-pyridinyl]-7-[(1-hydroxycyclopropyl)methoxy]imidazo[1,2-a]pyridine-3-carbonitrile
SMILESCC(F)c1ccc(OC2CCN(c3ccc(-c4cc(OCC5(O)CC5)cc5ncc(C#N)n45)cn3)CC2)cn1
InChIInChI=1S/C29H29FN6O3/c1-19(30)25-4-3-23(17-32-25)39-22-6-10-35(11-7-22)27-5-2-20(15-33-27)26-12-24(38-18-29(37)8-9-29)13-28-34-16-21(14-31)36(26)28/h2-5,12-13,15-17,19,22,37H,6-11,18H2,1H3
InChIKeyMYEIMMSRHZEXAY-UHFFFAOYSA-N
XLogP4.64
TPSA108.80 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500528.59
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 5-[6-[4-[[6-(1-fluoroethyl)-3-pyridinyl]oxy]piperidin-1-yl]-3-pyridinyl]-7-[(1-hydroxycyclopropyl)methoxy]imidazo[1,2-a]pyridine-3-carbonitrile with MolForge

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Related Compounds

8-((4-Fluoropiperidin-4-yl)methoxy)-2-(7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl)quinoline
CID 25094493
(8-Benzyloxy-2-methyl-imidazo[1,2-a]pyridin-3-yl)-methanol
CID 9860166
8-[(3S,4S)-3-fluoropiperidin-4-yl]oxy-2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]quinoline
CID 25098429
2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]-8-[(3S)-piperidin-3-yl]oxyquinoline
CID 25098430
4-[3-[6-(2-Methoxyethoxy)-3-pyridinyl]-2-methylimidazo[1,2-a]pyrazin-8-yl]morpholine
CID 53380383
8-((trans)-3-Fluoropiperidin-4-yloxy)-2-(7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl)quinoline
CID 59176329
2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]-8-[(3R)-piperidin-3-yl]oxyquinoline
CID 59176330
2-[7-(2-Methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]-8-(1-methylpiperidin-4-yl)oxyquinoline
CID 59176348
8-[(3S,4R)-3-fluoropiperidin-4-yl]oxy-2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]quinoline
CID 66781377
(trans)-4-(2-(7-(2-Methoxyethoxy)imidazo[1.2-a]pyridin-3-yl)quinolin-8-yloxy)piperidin-3-ol
CID 66781440
(3S,4R)-4-[2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]quinolin-8-yl]oxypiperidin-3-ol
CID 66781520
4-[2-Methyl-3-(6-propan-2-yloxy-3-pyridinyl)imidazo[1,2-a]pyrazin-8-yl]morpholine
CID 71139180

Frequently Asked Questions

What is the IUPAC name of 5-[6-[4-[[6-(1-fluoroethyl)-3-pyridinyl]oxy]piperidin-1-yl]-3-pyridinyl]-7-[(1-hydroxycyclopropyl)methoxy]imidazo[1,2-a]pyridine-3-carbonitrile?
The IUPAC name of 5-[6-[4-[[6-(1-fluoroethyl)-3-pyridinyl]oxy]piperidin-1-yl]-3-pyridinyl]-7-[(1-hydroxycyclopropyl)methoxy]imidazo[1,2-a]pyridine-3-carbonitrile (CID 163643772) is 5-[6-[4-[[6-(1-fluoroethyl)-3-pyridinyl]oxy]piperidin-1-yl]-3-pyridinyl]-7-[(1-hydroxycyclopropyl)methoxy]imidazo[1,2-a]pyridine-3-carbonitrile.
What is the SMILES notation for 5-[6-[4-[[6-(1-fluoroethyl)-3-pyridinyl]oxy]piperidin-1-yl]-3-pyridinyl]-7-[(1-hydroxycyclopropyl)methoxy]imidazo[1,2-a]pyridine-3-carbonitrile?
The canonical SMILES for 5-[6-[4-[[6-(1-fluoroethyl)-3-pyridinyl]oxy]piperidin-1-yl]-3-pyridinyl]-7-[(1-hydroxycyclopropyl)methoxy]imidazo[1,2-a]pyridine-3-carbonitrile is CC(F)c1ccc(OC2CCN(c3ccc(-c4cc(OCC5(O)CC5)cc5ncc(C#N)n45)cn3)CC2)cn1.
What is the InChIKey of 5-[6-[4-[[6-(1-fluoroethyl)-3-pyridinyl]oxy]piperidin-1-yl]-3-pyridinyl]-7-[(1-hydroxycyclopropyl)methoxy]imidazo[1,2-a]pyridine-3-carbonitrile?
The InChIKey is MYEIMMSRHZEXAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29FN6O3/c1-19(30)25-4-3-23(17-32-25)39-22-6-10-35(11-7-22)27-5-2-20(15-33-27)26-12-24(38-18-29(37)8-9-29)13-28-34-16-21(14-31)36(26)28/h2-5,12-13,15-17,19,22,37H,6-11,18H2,1H3.
What are the key properties of 5-[6-[4-[[6-(1-fluoroethyl)-3-pyridinyl]oxy]piperidin-1-yl]-3-pyridinyl]-7-[(1-hydroxycyclopropyl)methoxy]imidazo[1,2-a]pyridine-3-carbonitrile?
5-[6-[4-[[6-(1-fluoroethyl)-3-pyridinyl]oxy]piperidin-1-yl]-3-pyridinyl]-7-[(1-hydroxycyclopropyl)methoxy]imidazo[1,2-a]pyridine-3-carbonitrile has a molecular weight of 528.59 g/mol, XLogP of 4.64, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-[4-[[6-(1-fluoroethyl)-3-pyridinyl]oxy]piperidin-1-yl]-3-pyridinyl]-7-[(1-hydroxycyclopropyl)methoxy]imidazo[1,2-a]pyridine-3-carbonitrile is sourced from PubChem (CID 163643772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).