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

C22H25N5O — CID 121279519

IUPAC[3-(6-methyl-4-pyridin-2-yl-2-pyridinyl)pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone
SMILESCc1cc(-c2ccccn2)cc(C2CCN(C(=O)c3cc(C(C)C)[nH]n3)C2)n1
InChIInChI=1S/C22H25N5O/c1-14(2)19-12-21(26-25-19)22(28)27-9-7-16(13-27)20-11-17(10-15(3)24-20)18-6-4-5-8-23-18/h4-6,8,10-12,14,16H,7,9,13H2,1-3H3,(H,25,26)
InChIKeyMJVLWDVDYIFSIK-UHFFFAOYSA-N
MW375.48 g/mol
LogP3.93
Rot. Bonds4

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

[3-(6-methyl-4-pyridin-2-yl-2-pyridinyl)pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone (PubChem CID 121279519) has the molecular formula C22H25N5O and a molecular weight of 375.48 g/mol. Its IUPAC name is [3-(6-methyl-4-pyridin-2-yl-2-pyridinyl)pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone.

Molecular Properties

Compound Name[3-(6-methyl-4-pyridin-2-yl-2-pyridinyl)pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone
PubChem CID121279519
Molecular FormulaC22H25N5O
Molecular Weight375.48 g/mol
Exact Mass375.21
IUPAC Name[3-(6-methyl-4-pyridin-2-yl-2-pyridinyl)pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone
SMILESCc1cc(-c2ccccn2)cc(C2CCN(C(=O)c3cc(C(C)C)[nH]n3)C2)n1
InChIInChI=1S/C22H25N5O/c1-14(2)19-12-21(26-25-19)22(28)27-9-7-16(13-27)20-11-17(10-15(3)24-20)18-6-4-5-8-23-18/h4-6,8,10-12,14,16H,7,9,13H2,1-3H3,(H,25,26)
InChIKeyMJVLWDVDYIFSIK-UHFFFAOYSA-N
XLogP3.93
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.48
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-(6-methyl-4-pyridin-2-yl-2-pyridinyl)pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone?
The IUPAC name of [3-(6-methyl-4-pyridin-2-yl-2-pyridinyl)pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone (CID 121279519) is [3-(6-methyl-4-pyridin-2-yl-2-pyridinyl)pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone.
What is the SMILES notation for [3-(6-methyl-4-pyridin-2-yl-2-pyridinyl)pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone?
The canonical SMILES for [3-(6-methyl-4-pyridin-2-yl-2-pyridinyl)pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone is Cc1cc(-c2ccccn2)cc(C2CCN(C(=O)c3cc(C(C)C)[nH]n3)C2)n1.
What is the InChIKey of [3-(6-methyl-4-pyridin-2-yl-2-pyridinyl)pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone?
The InChIKey is MJVLWDVDYIFSIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O/c1-14(2)19-12-21(26-25-19)22(28)27-9-7-16(13-27)20-11-17(10-15(3)24-20)18-6-4-5-8-23-18/h4-6,8,10-12,14,16H,7,9,13H2,1-3H3,(H,25,26).
What are the key properties of [3-(6-methyl-4-pyridin-2-yl-2-pyridinyl)pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone?
[3-(6-methyl-4-pyridin-2-yl-2-pyridinyl)pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone has a molecular weight of 375.48 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(6-methyl-4-pyridin-2-yl-2-pyridinyl)pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone is sourced from PubChem (CID 121279519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).