[1-[(1-methylpyrazol-4-yl)methyl]-1,8-diazaspiro[4.5]decan-8-yl]-(1-methylpyrrol-2-yl)methanone

C19H27N5O — CID 97397002

IUPAC[1-[(1-methylpyrazol-4-yl)methyl]-1,8-diazaspiro[4.5]decan-8-yl]-(1-methylpyrrol-2-yl)methanone
SMILESCn1cc(CN2CCCC23CCN(C(=O)c2cccn2C)CC3)cn1
InChIInChI=1S/C19H27N5O/c1-21-9-3-5-17(21)18(25)23-11-7-19(8-12-23)6-4-10-24(19)15-16-13-20-22(2)14-16/h3,5,9,13-14H,4,6-8,10-12,15H2,1-2H3
InChIKeyAMNZRZJAQWJOCS-UHFFFAOYSA-N
MW341.46 g/mol
LogP2.03
Rot. Bonds3

About [1-[(1-methylpyrazol-4-yl)methyl]-1,8-diazaspiro[4.5]decan-8-yl]-(1-methylpyrrol-2-yl)methanone

[1-[(1-methylpyrazol-4-yl)methyl]-1,8-diazaspiro[4.5]decan-8-yl]-(1-methylpyrrol-2-yl)methanone (PubChem CID 97397002) has the molecular formula C19H27N5O and a molecular weight of 341.46 g/mol. Its IUPAC name is [1-[(1-methylpyrazol-4-yl)methyl]-1,8-diazaspiro[4.5]decan-8-yl]-(1-methylpyrrol-2-yl)methanone.

Molecular Properties

Compound Name[1-[(1-methylpyrazol-4-yl)methyl]-1,8-diazaspiro[4.5]decan-8-yl]-(1-methylpyrrol-2-yl)methanone
PubChem CID97397002
Molecular FormulaC19H27N5O
Molecular Weight341.46 g/mol
Exact Mass341.22
IUPAC Name[1-[(1-methylpyrazol-4-yl)methyl]-1,8-diazaspiro[4.5]decan-8-yl]-(1-methylpyrrol-2-yl)methanone
SMILESCn1cc(CN2CCCC23CCN(C(=O)c2cccn2C)CC3)cn1
InChIInChI=1S/C19H27N5O/c1-21-9-3-5-17(21)18(25)23-11-7-19(8-12-23)6-4-10-24(19)15-16-13-20-22(2)14-16/h3,5,9,13-14H,4,6-8,10-12,15H2,1-2H3
InChIKeyAMNZRZJAQWJOCS-UHFFFAOYSA-N
XLogP2.03
TPSA46.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-[(1-methylpyrazol-4-yl)methyl]-1,8-diazaspiro[4.5]decan-8-yl]-(1-methylpyrrol-2-yl)methanone?
The IUPAC name of [1-[(1-methylpyrazol-4-yl)methyl]-1,8-diazaspiro[4.5]decan-8-yl]-(1-methylpyrrol-2-yl)methanone (CID 97397002) is [1-[(1-methylpyrazol-4-yl)methyl]-1,8-diazaspiro[4.5]decan-8-yl]-(1-methylpyrrol-2-yl)methanone.
What is the SMILES notation for [1-[(1-methylpyrazol-4-yl)methyl]-1,8-diazaspiro[4.5]decan-8-yl]-(1-methylpyrrol-2-yl)methanone?
The canonical SMILES for [1-[(1-methylpyrazol-4-yl)methyl]-1,8-diazaspiro[4.5]decan-8-yl]-(1-methylpyrrol-2-yl)methanone is Cn1cc(CN2CCCC23CCN(C(=O)c2cccn2C)CC3)cn1.
What is the InChIKey of [1-[(1-methylpyrazol-4-yl)methyl]-1,8-diazaspiro[4.5]decan-8-yl]-(1-methylpyrrol-2-yl)methanone?
The InChIKey is AMNZRZJAQWJOCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O/c1-21-9-3-5-17(21)18(25)23-11-7-19(8-12-23)6-4-10-24(19)15-16-13-20-22(2)14-16/h3,5,9,13-14H,4,6-8,10-12,15H2,1-2H3.
What are the key properties of [1-[(1-methylpyrazol-4-yl)methyl]-1,8-diazaspiro[4.5]decan-8-yl]-(1-methylpyrrol-2-yl)methanone?
[1-[(1-methylpyrazol-4-yl)methyl]-1,8-diazaspiro[4.5]decan-8-yl]-(1-methylpyrrol-2-yl)methanone has a molecular weight of 341.46 g/mol, XLogP of 2.03, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(1-methylpyrazol-4-yl)methyl]-1,8-diazaspiro[4.5]decan-8-yl]-(1-methylpyrrol-2-yl)methanone is sourced from PubChem (CID 97397002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).