9-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-4-imidazo[1,2-a]pyridin-3-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

C30H37N5O3 — CID 66783557

IUPAC9-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-4-imidazo[1,2-a]pyridin-3-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESO=C1COC2(CCN(c3ccc(OC4CCN(C5CCC5)CC4)cc3)CC2)CN1c1cnc2ccccn12
InChIInChI=1S/C30H37N5O3/c36-29-21-37-30(22-35(29)28-20-31-27-6-1-2-15-34(27)28)13-18-33(19-14-30)24-7-9-25(10-8-24)38-26-11-16-32(17-12-26)23-4-3-5-23/h1-2,6-10,15,20,23,26H,3-5,11-14,16-19,21-22H2
InChIKeyNMZOSALJUBQMPC-UHFFFAOYSA-N
MW515.66 g/mol
LogP4.13
Rot. Bonds5

About 9-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-4-imidazo[1,2-a]pyridin-3-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

9-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-4-imidazo[1,2-a]pyridin-3-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (PubChem CID 66783557) has the molecular formula C30H37N5O3 and a molecular weight of 515.66 g/mol. Its IUPAC name is 9-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-4-imidazo[1,2-a]pyridin-3-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name9-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-4-imidazo[1,2-a]pyridin-3-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
PubChem CID66783557
Molecular FormulaC30H37N5O3
Molecular Weight515.66 g/mol
Exact Mass515.29
IUPAC Name9-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-4-imidazo[1,2-a]pyridin-3-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESO=C1COC2(CCN(c3ccc(OC4CCN(C5CCC5)CC4)cc3)CC2)CN1c1cnc2ccccn12
InChIInChI=1S/C30H37N5O3/c36-29-21-37-30(22-35(29)28-20-31-27-6-1-2-15-34(27)28)13-18-33(19-14-30)24-7-9-25(10-8-24)38-26-11-16-32(17-12-26)23-4-3-5-23/h1-2,6-10,15,20,23,26H,3-5,11-14,16-19,21-22H2
InChIKeyNMZOSALJUBQMPC-UHFFFAOYSA-N
XLogP4.13
TPSA62.55 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500515.66
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 9-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-4-imidazo[1,2-a]pyridin-3-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 9-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-4-imidazo[1,2-a]pyridin-3-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (CID 66783557) is 9-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-4-imidazo[1,2-a]pyridin-3-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 9-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-4-imidazo[1,2-a]pyridin-3-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 9-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-4-imidazo[1,2-a]pyridin-3-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is O=C1COC2(CCN(c3ccc(OC4CCN(C5CCC5)CC4)cc3)CC2)CN1c1cnc2ccccn12.
What is the InChIKey of 9-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-4-imidazo[1,2-a]pyridin-3-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is NMZOSALJUBQMPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H37N5O3/c36-29-21-37-30(22-35(29)28-20-31-27-6-1-2-15-34(27)28)13-18-33(19-14-30)24-7-9-25(10-8-24)38-26-11-16-32(17-12-26)23-4-3-5-23/h1-2,6-10,15,20,23,26H,3-5,11-14,16-19,21-22H2.
What are the key properties of 9-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-4-imidazo[1,2-a]pyridin-3-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
9-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-4-imidazo[1,2-a]pyridin-3-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 515.66 g/mol, XLogP of 4.13, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-4-imidazo[1,2-a]pyridin-3-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 66783557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).