[3-[4-(cyclopenten-1-yl)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone

C22H28N4O — CID 121279708

IUPAC[3-[4-(cyclopenten-1-yl)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone
SMILESCc1cc(C2=CCCC2)cc(C2CCN(C(=O)c3cc(C(C)C)[nH]n3)C2)n1
InChIInChI=1S/C22H28N4O/c1-14(2)19-12-21(25-24-19)22(27)26-9-8-17(13-26)20-11-18(10-15(3)23-20)16-6-4-5-7-16/h6,10-12,14,17H,4-5,7-9,13H2,1-3H3,(H,24,25)
InChIKeyQODIKGNIFOXURR-UHFFFAOYSA-N
MW364.49 g/mol
LogP4.43
Rot. Bonds4

About [3-[4-(cyclopenten-1-yl)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone

[3-[4-(cyclopenten-1-yl)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone (PubChem CID 121279708) has the molecular formula C22H28N4O and a molecular weight of 364.49 g/mol. Its IUPAC name is [3-[4-(cyclopenten-1-yl)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone.

Molecular Properties

Compound Name[3-[4-(cyclopenten-1-yl)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone
PubChem CID121279708
Molecular FormulaC22H28N4O
Molecular Weight364.49 g/mol
Exact Mass364.23
IUPAC Name[3-[4-(cyclopenten-1-yl)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone
SMILESCc1cc(C2=CCCC2)cc(C2CCN(C(=O)c3cc(C(C)C)[nH]n3)C2)n1
InChIInChI=1S/C22H28N4O/c1-14(2)19-12-21(25-24-19)22(27)26-9-8-17(13-26)20-11-18(10-15(3)23-20)16-6-4-5-7-16/h6,10-12,14,17H,4-5,7-9,13H2,1-3H3,(H,24,25)
InChIKeyQODIKGNIFOXURR-UHFFFAOYSA-N
XLogP4.43
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-[4-(cyclopenten-1-yl)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone?
The IUPAC name of [3-[4-(cyclopenten-1-yl)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone (CID 121279708) is [3-[4-(cyclopenten-1-yl)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone.
What is the SMILES notation for [3-[4-(cyclopenten-1-yl)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone?
The canonical SMILES for [3-[4-(cyclopenten-1-yl)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone is Cc1cc(C2=CCCC2)cc(C2CCN(C(=O)c3cc(C(C)C)[nH]n3)C2)n1.
What is the InChIKey of [3-[4-(cyclopenten-1-yl)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone?
The InChIKey is QODIKGNIFOXURR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O/c1-14(2)19-12-21(25-24-19)22(27)26-9-8-17(13-26)20-11-18(10-15(3)23-20)16-6-4-5-7-16/h6,10-12,14,17H,4-5,7-9,13H2,1-3H3,(H,24,25).
What are the key properties of [3-[4-(cyclopenten-1-yl)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone?
[3-[4-(cyclopenten-1-yl)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone has a molecular weight of 364.49 g/mol, XLogP of 4.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[4-(cyclopenten-1-yl)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone is sourced from PubChem (CID 121279708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).