(1-methylpyrrol-2-yl)-[(5S)-2-pyridin-2-yl-2,7-diazaspiro[4.5]decan-7-yl]methanone

C19H24N4O — CID 3233842

IUPAC(1-methylpyrrol-2-yl)-[(5S)-2-pyridin-2-yl-2,7-diazaspiro[4.5]decan-7-yl]methanone
SMILESCn1cccc1C(=O)N1CCC[C@@]2(CCN(c3ccccn3)C2)C1
InChIInChI=1S/C19H24N4O/c1-21-11-4-6-16(21)18(24)23-12-5-8-19(15-23)9-13-22(14-19)17-7-2-3-10-20-17/h2-4,6-7,10-11H,5,8-9,12-15H2,1H3/t19-/m0/s1
InChIKeyPZSYNZXXLDDADL-IBGZPJMESA-N
MW324.43 g/mol
LogP2.55
Rot. Bonds2

About (1-methylpyrrol-2-yl)-[(5S)-2-pyridin-2-yl-2,7-diazaspiro[4.5]decan-7-yl]methanone

(1-methylpyrrol-2-yl)-[(5S)-2-pyridin-2-yl-2,7-diazaspiro[4.5]decan-7-yl]methanone (PubChem CID 3233842) has the molecular formula C19H24N4O and a molecular weight of 324.43 g/mol. Its IUPAC name is (1-methylpyrrol-2-yl)-[(5S)-2-pyridin-2-yl-2,7-diazaspiro[4.5]decan-7-yl]methanone.

Molecular Properties

Compound Name(1-methylpyrrol-2-yl)-[(5S)-2-pyridin-2-yl-2,7-diazaspiro[4.5]decan-7-yl]methanone
PubChem CID3233842
Molecular FormulaC19H24N4O
Molecular Weight324.43 g/mol
Exact Mass324.20
IUPAC Name(1-methylpyrrol-2-yl)-[(5S)-2-pyridin-2-yl-2,7-diazaspiro[4.5]decan-7-yl]methanone
SMILESCn1cccc1C(=O)N1CCC[C@@]2(CCN(c3ccccn3)C2)C1
InChIInChI=1S/C19H24N4O/c1-21-11-4-6-16(21)18(24)23-12-5-8-19(15-23)9-13-22(14-19)17-7-2-3-10-20-17/h2-4,6-7,10-11H,5,8-9,12-15H2,1H3/t19-/m0/s1
InChIKeyPZSYNZXXLDDADL-IBGZPJMESA-N
XLogP2.55
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1-methylpyrrol-2-yl)-[(5S)-2-pyridin-2-yl-2,7-diazaspiro[4.5]decan-7-yl]methanone?
The IUPAC name of (1-methylpyrrol-2-yl)-[(5S)-2-pyridin-2-yl-2,7-diazaspiro[4.5]decan-7-yl]methanone (CID 3233842) is (1-methylpyrrol-2-yl)-[(5S)-2-pyridin-2-yl-2,7-diazaspiro[4.5]decan-7-yl]methanone.
What is the SMILES notation for (1-methylpyrrol-2-yl)-[(5S)-2-pyridin-2-yl-2,7-diazaspiro[4.5]decan-7-yl]methanone?
The canonical SMILES for (1-methylpyrrol-2-yl)-[(5S)-2-pyridin-2-yl-2,7-diazaspiro[4.5]decan-7-yl]methanone is Cn1cccc1C(=O)N1CCC[C@@]2(CCN(c3ccccn3)C2)C1.
What is the InChIKey of (1-methylpyrrol-2-yl)-[(5S)-2-pyridin-2-yl-2,7-diazaspiro[4.5]decan-7-yl]methanone?
The InChIKey is PZSYNZXXLDDADL-IBGZPJMESA-N. The full InChI is InChI=1S/C19H24N4O/c1-21-11-4-6-16(21)18(24)23-12-5-8-19(15-23)9-13-22(14-19)17-7-2-3-10-20-17/h2-4,6-7,10-11H,5,8-9,12-15H2,1H3/t19-/m0/s1.
What are the key properties of (1-methylpyrrol-2-yl)-[(5S)-2-pyridin-2-yl-2,7-diazaspiro[4.5]decan-7-yl]methanone?
(1-methylpyrrol-2-yl)-[(5S)-2-pyridin-2-yl-2,7-diazaspiro[4.5]decan-7-yl]methanone has a molecular weight of 324.43 g/mol, XLogP of 2.55, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpyrrol-2-yl)-[(5S)-2-pyridin-2-yl-2,7-diazaspiro[4.5]decan-7-yl]methanone is sourced from PubChem (CID 3233842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).