(1-methylpyrrol-2-yl)-(8-pyridin-3-yl-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl)methanone

C19H24N4O2 — CID 131656576

IUPAC(1-methylpyrrol-2-yl)-(8-pyridin-3-yl-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl)methanone
SMILESCn1cccc1C(=O)N1CCOC2(CCCN(c3cccnc3)C2)C1
InChIInChI=1S/C19H24N4O2/c1-21-9-3-6-17(21)18(24)23-11-12-25-19(15-23)7-4-10-22(14-19)16-5-2-8-20-13-16/h2-3,5-6,8-9,13H,4,7,10-12,14-15H2,1H3
InChIKeyPYMAZPOKMOOSMZ-UHFFFAOYSA-N
MW340.43 g/mol
LogP1.93
Rot. Bonds2

About (1-methylpyrrol-2-yl)-(8-pyridin-3-yl-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl)methanone

(1-methylpyrrol-2-yl)-(8-pyridin-3-yl-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl)methanone (PubChem CID 131656576) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is (1-methylpyrrol-2-yl)-(8-pyridin-3-yl-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl)methanone.

Molecular Properties

Compound Name(1-methylpyrrol-2-yl)-(8-pyridin-3-yl-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl)methanone
PubChem CID131656576
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name(1-methylpyrrol-2-yl)-(8-pyridin-3-yl-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl)methanone
SMILESCn1cccc1C(=O)N1CCOC2(CCCN(c3cccnc3)C2)C1
InChIInChI=1S/C19H24N4O2/c1-21-9-3-6-17(21)18(24)23-11-12-25-19(15-23)7-4-10-22(14-19)16-5-2-8-20-13-16/h2-3,5-6,8-9,13H,4,7,10-12,14-15H2,1H3
InChIKeyPYMAZPOKMOOSMZ-UHFFFAOYSA-N
XLogP1.93
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(1-methylpyrrol-2-yl)-(8-pyridin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl)methanone
CID 155901251
(6S)-4-[(3-methylimidazol-4-yl)methyl]-8-pyridin-3-yl-1-oxa-4,8-diazaspiro[5.5]undecane
CID 97492020
4-(oxan-4-yl)-8-pyridin-3-yl-1-oxa-4,8-diazaspiro[5.5]undecane
CID 134074048
6-oxa-9-azaspiro[4.5]decan-9-yl(pyridin-3-yl)methanone
CID 97232335
8-pyridin-3-yl-4-(pyridin-3-ylmethyl)-1-oxa-4,8-diazaspiro[5.5]undecane
CID 131640266
(1-methylpyrrol-2-yl)-[3-(pyridin-3-ylamino)-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone;2,2,2-trifluoroacetic acid
CID 155856649
[8-(3-fluorophenyl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]-pyridazin-4-ylmethanone
CID 134074046
pyrazin-2-yl-(8-pyrimidin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl)methanone
CID 131662756
(1-methylpyrrol-2-yl)-(11-pyrazin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)methanone
CID 131654156
(1-methylpyrrol-2-yl)-[(5S)-2-pyridin-4-yl-2,7-diazaspiro[4.5]decan-7-yl]methanone
CID 3235211
[(6R)-8-(3-fluoro-2-pyridinyl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]-pyrazin-2-ylmethanone
CID 97492101
pyrazin-2-yl-(8-pyrazin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl)methanone
CID 131639207

Frequently Asked Questions

What is the IUPAC name of (1-methylpyrrol-2-yl)-(8-pyridin-3-yl-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl)methanone?
The IUPAC name of (1-methylpyrrol-2-yl)-(8-pyridin-3-yl-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl)methanone (CID 131656576) is (1-methylpyrrol-2-yl)-(8-pyridin-3-yl-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl)methanone.
What is the SMILES notation for (1-methylpyrrol-2-yl)-(8-pyridin-3-yl-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl)methanone?
The canonical SMILES for (1-methylpyrrol-2-yl)-(8-pyridin-3-yl-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl)methanone is Cn1cccc1C(=O)N1CCOC2(CCCN(c3cccnc3)C2)C1.
What is the InChIKey of (1-methylpyrrol-2-yl)-(8-pyridin-3-yl-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl)methanone?
The InChIKey is PYMAZPOKMOOSMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-21-9-3-6-17(21)18(24)23-11-12-25-19(15-23)7-4-10-22(14-19)16-5-2-8-20-13-16/h2-3,5-6,8-9,13H,4,7,10-12,14-15H2,1H3.
What are the key properties of (1-methylpyrrol-2-yl)-(8-pyridin-3-yl-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl)methanone?
(1-methylpyrrol-2-yl)-(8-pyridin-3-yl-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl)methanone has a molecular weight of 340.43 g/mol, XLogP of 1.93, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpyrrol-2-yl)-(8-pyridin-3-yl-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl)methanone is sourced from PubChem (CID 131656576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).