[5-(1-methylpyrrol-2-yl)pyrazolidin-3-yl]-(2-pyridin-3-ylpyrrolidin-1-yl)methanone

C18H23N5O — CID 134067514

IUPAC[5-(1-methylpyrrol-2-yl)pyrazolidin-3-yl]-(2-pyridin-3-ylpyrrolidin-1-yl)methanone
SMILESCn1cccc1C1CC(C(=O)N2CCCC2c2cccnc2)NN1
InChIInChI=1S/C18H23N5O/c1-22-9-3-7-17(22)14-11-15(21-20-14)18(24)23-10-4-6-16(23)13-5-2-8-19-12-13/h2-3,5,7-9,12,14-16,20-21H,4,6,10-11H2,1H3
InChIKeyWAVNBNVLIWFAIZ-UHFFFAOYSA-N
MW325.42 g/mol
LogP1.69
Rot. Bonds3

About [5-(1-methylpyrrol-2-yl)pyrazolidin-3-yl]-(2-pyridin-3-ylpyrrolidin-1-yl)methanone

[5-(1-methylpyrrol-2-yl)pyrazolidin-3-yl]-(2-pyridin-3-ylpyrrolidin-1-yl)methanone (PubChem CID 134067514) has the molecular formula C18H23N5O and a molecular weight of 325.42 g/mol. Its IUPAC name is [5-(1-methylpyrrol-2-yl)pyrazolidin-3-yl]-(2-pyridin-3-ylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name[5-(1-methylpyrrol-2-yl)pyrazolidin-3-yl]-(2-pyridin-3-ylpyrrolidin-1-yl)methanone
PubChem CID134067514
Molecular FormulaC18H23N5O
Molecular Weight325.42 g/mol
Exact Mass325.19
IUPAC Name[5-(1-methylpyrrol-2-yl)pyrazolidin-3-yl]-(2-pyridin-3-ylpyrrolidin-1-yl)methanone
SMILESCn1cccc1C1CC(C(=O)N2CCCC2c2cccnc2)NN1
InChIInChI=1S/C18H23N5O/c1-22-9-3-7-17(22)14-11-15(21-20-14)18(24)23-10-4-6-16(23)13-5-2-8-19-12-13/h2-3,5,7-9,12,14-16,20-21H,4,6,10-11H2,1H3
InChIKeyWAVNBNVLIWFAIZ-UHFFFAOYSA-N
XLogP1.69
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[(2R)-2-pyridin-3-ylpiperidin-1-yl]-(5-thiophen-3-ylpyrazolidin-3-yl)methanone
CID 133143529
(2-pyridin-3-ylpyrrolidin-1-yl)-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 136529691
3-(1-methylpyrrolidin-2-yl)pyridine;oxalic acid
CID 159143425
carbonic acid;3-[(2S)-1-methylpyrrolidin-2-yl]pyridine
CID 175253696
carbamic acid;3-[(2S)-1-methylpyrrolidin-2-yl]pyridine
CID 174664088
2-pyridin-3-ylpiperidine-1-carboxylic acid
CID 67067085
(3-methylpyrrolidin-2-yl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 102777436
2-chloro-1-[(2R)-2-pyridin-3-ylpyrrolidin-1-yl]ethanone
CID 14619396
methanol;3-[(2S)-1-methylpyrrolidin-2-yl]pyridine
CID 174330723
(2-methylphenyl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 110871555
3-(1-methyl(115N)azolidin-2-yl)pyridine
CID 11126596
hydron;bis(3-(1-methylpyrrolidin-2-yl)pyridine)
CID 158783488

Frequently Asked Questions

What is the IUPAC name of [5-(1-methylpyrrol-2-yl)pyrazolidin-3-yl]-(2-pyridin-3-ylpyrrolidin-1-yl)methanone?
The IUPAC name of [5-(1-methylpyrrol-2-yl)pyrazolidin-3-yl]-(2-pyridin-3-ylpyrrolidin-1-yl)methanone (CID 134067514) is [5-(1-methylpyrrol-2-yl)pyrazolidin-3-yl]-(2-pyridin-3-ylpyrrolidin-1-yl)methanone.
What is the SMILES notation for [5-(1-methylpyrrol-2-yl)pyrazolidin-3-yl]-(2-pyridin-3-ylpyrrolidin-1-yl)methanone?
The canonical SMILES for [5-(1-methylpyrrol-2-yl)pyrazolidin-3-yl]-(2-pyridin-3-ylpyrrolidin-1-yl)methanone is Cn1cccc1C1CC(C(=O)N2CCCC2c2cccnc2)NN1.
What is the InChIKey of [5-(1-methylpyrrol-2-yl)pyrazolidin-3-yl]-(2-pyridin-3-ylpyrrolidin-1-yl)methanone?
The InChIKey is WAVNBNVLIWFAIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O/c1-22-9-3-7-17(22)14-11-15(21-20-14)18(24)23-10-4-6-16(23)13-5-2-8-19-12-13/h2-3,5,7-9,12,14-16,20-21H,4,6,10-11H2,1H3.
What are the key properties of [5-(1-methylpyrrol-2-yl)pyrazolidin-3-yl]-(2-pyridin-3-ylpyrrolidin-1-yl)methanone?
[5-(1-methylpyrrol-2-yl)pyrazolidin-3-yl]-(2-pyridin-3-ylpyrrolidin-1-yl)methanone has a molecular weight of 325.42 g/mol, XLogP of 1.69, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(1-methylpyrrol-2-yl)pyrazolidin-3-yl]-(2-pyridin-3-ylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 134067514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).