(1-methylpyrrol-2-yl)-(9-pyridin-4-yl-3,9-diazaspiro[5.5]undecan-3-yl)methanone

C20H26N4O — CID 3234689

IUPAC(1-methylpyrrol-2-yl)-(9-pyridin-4-yl-3,9-diazaspiro[5.5]undecan-3-yl)methanone
SMILESCn1cccc1C(=O)N1CCC2(CC1)CCN(c1ccncc1)CC2
InChIInChI=1S/C20H26N4O/c1-22-12-2-3-18(22)19(25)24-15-8-20(9-16-24)6-13-23(14-7-20)17-4-10-21-11-5-17/h2-5,10-12H,6-9,13-16H2,1H3
InChIKeyCQNWQFDMXKTACL-UHFFFAOYSA-N
MW338.45 g/mol
LogP2.94
Rot. Bonds2

About (1-methylpyrrol-2-yl)-(9-pyridin-4-yl-3,9-diazaspiro[5.5]undecan-3-yl)methanone

(1-methylpyrrol-2-yl)-(9-pyridin-4-yl-3,9-diazaspiro[5.5]undecan-3-yl)methanone (PubChem CID 3234689) has the molecular formula C20H26N4O and a molecular weight of 338.45 g/mol. Its IUPAC name is (1-methylpyrrol-2-yl)-(9-pyridin-4-yl-3,9-diazaspiro[5.5]undecan-3-yl)methanone.

Molecular Properties

Compound Name(1-methylpyrrol-2-yl)-(9-pyridin-4-yl-3,9-diazaspiro[5.5]undecan-3-yl)methanone
PubChem CID3234689
Molecular FormulaC20H26N4O
Molecular Weight338.45 g/mol
Exact Mass338.21
IUPAC Name(1-methylpyrrol-2-yl)-(9-pyridin-4-yl-3,9-diazaspiro[5.5]undecan-3-yl)methanone
SMILESCn1cccc1C(=O)N1CCC2(CC1)CCN(c1ccncc1)CC2
InChIInChI=1S/C20H26N4O/c1-22-12-2-3-18(22)19(25)24-15-8-20(9-16-24)6-13-23(14-7-20)17-4-10-21-11-5-17/h2-5,10-12H,6-9,13-16H2,1H3
InChIKeyCQNWQFDMXKTACL-UHFFFAOYSA-N
XLogP2.94
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 52.94
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)-(9-pyridin-4-yl-3,9-diazaspiro[5.5]undecan-3-yl)methanone?
The IUPAC name of (1-methylpyrrol-2-yl)-(9-pyridin-4-yl-3,9-diazaspiro[5.5]undecan-3-yl)methanone (CID 3234689) is (1-methylpyrrol-2-yl)-(9-pyridin-4-yl-3,9-diazaspiro[5.5]undecan-3-yl)methanone.
What is the SMILES notation for (1-methylpyrrol-2-yl)-(9-pyridin-4-yl-3,9-diazaspiro[5.5]undecan-3-yl)methanone?
The canonical SMILES for (1-methylpyrrol-2-yl)-(9-pyridin-4-yl-3,9-diazaspiro[5.5]undecan-3-yl)methanone is Cn1cccc1C(=O)N1CCC2(CC1)CCN(c1ccncc1)CC2.
What is the InChIKey of (1-methylpyrrol-2-yl)-(9-pyridin-4-yl-3,9-diazaspiro[5.5]undecan-3-yl)methanone?
The InChIKey is CQNWQFDMXKTACL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O/c1-22-12-2-3-18(22)19(25)24-15-8-20(9-16-24)6-13-23(14-7-20)17-4-10-21-11-5-17/h2-5,10-12H,6-9,13-16H2,1H3.
What are the key properties of (1-methylpyrrol-2-yl)-(9-pyridin-4-yl-3,9-diazaspiro[5.5]undecan-3-yl)methanone?
(1-methylpyrrol-2-yl)-(9-pyridin-4-yl-3,9-diazaspiro[5.5]undecan-3-yl)methanone has a molecular weight of 338.45 g/mol, XLogP of 2.94, 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)-(9-pyridin-4-yl-3,9-diazaspiro[5.5]undecan-3-yl)methanone is sourced from PubChem (CID 3234689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).