(1-methylpyrrol-2-yl)-(2-pyrimidin-2-yl-2,9-diazaspiro[5.5]undecan-9-yl)methanone

C19H25N5O — CID 3235117

IUPAC(1-methylpyrrol-2-yl)-(2-pyrimidin-2-yl-2,9-diazaspiro[5.5]undecan-9-yl)methanone
SMILESCn1cccc1C(=O)N1CCC2(CCCN(c3ncccn3)C2)CC1
InChIInChI=1S/C19H25N5O/c1-22-11-2-5-16(22)17(25)23-13-7-19(8-14-23)6-3-12-24(15-19)18-20-9-4-10-21-18/h2,4-5,9-11H,3,6-8,12-15H2,1H3
InChIKeyKFYYEXLGKCFZES-UHFFFAOYSA-N
MW339.44 g/mol
LogP2.34
Rot. Bonds2

About (1-methylpyrrol-2-yl)-(2-pyrimidin-2-yl-2,9-diazaspiro[5.5]undecan-9-yl)methanone

(1-methylpyrrol-2-yl)-(2-pyrimidin-2-yl-2,9-diazaspiro[5.5]undecan-9-yl)methanone (PubChem CID 3235117) has the molecular formula C19H25N5O and a molecular weight of 339.44 g/mol. Its IUPAC name is (1-methylpyrrol-2-yl)-(2-pyrimidin-2-yl-2,9-diazaspiro[5.5]undecan-9-yl)methanone.

Molecular Properties

Compound Name(1-methylpyrrol-2-yl)-(2-pyrimidin-2-yl-2,9-diazaspiro[5.5]undecan-9-yl)methanone
PubChem CID3235117
Molecular FormulaC19H25N5O
Molecular Weight339.44 g/mol
Exact Mass339.21
IUPAC Name(1-methylpyrrol-2-yl)-(2-pyrimidin-2-yl-2,9-diazaspiro[5.5]undecan-9-yl)methanone
SMILESCn1cccc1C(=O)N1CCC2(CCCN(c3ncccn3)C2)CC1
InChIInChI=1S/C19H25N5O/c1-22-11-2-5-16(22)17(25)23-13-7-19(8-14-23)6-3-12-24(15-19)18-20-9-4-10-21-18/h2,4-5,9-11H,3,6-8,12-15H2,1H3
InChIKeyKFYYEXLGKCFZES-UHFFFAOYSA-N
XLogP2.34
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1-methylpyrrol-2-yl)-(2-pyrimidin-2-yl-2,9-diazaspiro[5.5]undecan-9-yl)methanone?
The IUPAC name of (1-methylpyrrol-2-yl)-(2-pyrimidin-2-yl-2,9-diazaspiro[5.5]undecan-9-yl)methanone (CID 3235117) is (1-methylpyrrol-2-yl)-(2-pyrimidin-2-yl-2,9-diazaspiro[5.5]undecan-9-yl)methanone.
What is the SMILES notation for (1-methylpyrrol-2-yl)-(2-pyrimidin-2-yl-2,9-diazaspiro[5.5]undecan-9-yl)methanone?
The canonical SMILES for (1-methylpyrrol-2-yl)-(2-pyrimidin-2-yl-2,9-diazaspiro[5.5]undecan-9-yl)methanone is Cn1cccc1C(=O)N1CCC2(CCCN(c3ncccn3)C2)CC1.
What is the InChIKey of (1-methylpyrrol-2-yl)-(2-pyrimidin-2-yl-2,9-diazaspiro[5.5]undecan-9-yl)methanone?
The InChIKey is KFYYEXLGKCFZES-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O/c1-22-11-2-5-16(22)17(25)23-13-7-19(8-14-23)6-3-12-24(15-19)18-20-9-4-10-21-18/h2,4-5,9-11H,3,6-8,12-15H2,1H3.
What are the key properties of (1-methylpyrrol-2-yl)-(2-pyrimidin-2-yl-2,9-diazaspiro[5.5]undecan-9-yl)methanone?
(1-methylpyrrol-2-yl)-(2-pyrimidin-2-yl-2,9-diazaspiro[5.5]undecan-9-yl)methanone has a molecular weight of 339.44 g/mol, XLogP of 2.34, 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)-(2-pyrimidin-2-yl-2,9-diazaspiro[5.5]undecan-9-yl)methanone is sourced from PubChem (CID 3235117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).