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

C21H26N6O — CID 121279427

IUPAC[3-[6-methyl-4-(1-methylpyrazol-4-yl)-2-pyridinyl]pyrrolidin-1-yl]-(5-propyl-1H-pyrazol-3-yl)methanone
SMILESCCCc1cc(C(=O)N2CCC(c3cc(-c4cnn(C)c4)cc(C)n3)C2)n[nH]1
InChIInChI=1S/C21H26N6O/c1-4-5-18-10-20(25-24-18)21(28)27-7-6-15(13-27)19-9-16(8-14(2)23-19)17-11-22-26(3)12-17/h8-12,15H,4-7,13H2,1-3H3,(H,24,25)
InChIKeyYFFSYLDTZXRIBZ-UHFFFAOYSA-N
MW378.48 g/mol
LogP3.10
Rot. Bonds5

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

[3-[6-methyl-4-(1-methylpyrazol-4-yl)-2-pyridinyl]pyrrolidin-1-yl]-(5-propyl-1H-pyrazol-3-yl)methanone (PubChem CID 121279427) has the molecular formula C21H26N6O and a molecular weight of 378.48 g/mol. Its IUPAC name is [3-[6-methyl-4-(1-methylpyrazol-4-yl)-2-pyridinyl]pyrrolidin-1-yl]-(5-propyl-1H-pyrazol-3-yl)methanone.

Molecular Properties

Compound Name[3-[6-methyl-4-(1-methylpyrazol-4-yl)-2-pyridinyl]pyrrolidin-1-yl]-(5-propyl-1H-pyrazol-3-yl)methanone
PubChem CID121279427
Molecular FormulaC21H26N6O
Molecular Weight378.48 g/mol
Exact Mass378.22
IUPAC Name[3-[6-methyl-4-(1-methylpyrazol-4-yl)-2-pyridinyl]pyrrolidin-1-yl]-(5-propyl-1H-pyrazol-3-yl)methanone
SMILESCCCc1cc(C(=O)N2CCC(c3cc(-c4cnn(C)c4)cc(C)n3)C2)n[nH]1
InChIInChI=1S/C21H26N6O/c1-4-5-18-10-20(25-24-18)21(28)27-7-6-15(13-27)19-9-16(8-14(2)23-19)17-11-22-26(3)12-17/h8-12,15H,4-7,13H2,1-3H3,(H,24,25)
InChIKeyYFFSYLDTZXRIBZ-UHFFFAOYSA-N
XLogP3.10
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-[6-methyl-4-(1-methylpyrazol-4-yl)-2-pyridinyl]pyrrolidin-1-yl]-(5-propyl-1H-pyrazol-3-yl)methanone?
The IUPAC name of [3-[6-methyl-4-(1-methylpyrazol-4-yl)-2-pyridinyl]pyrrolidin-1-yl]-(5-propyl-1H-pyrazol-3-yl)methanone (CID 121279427) is [3-[6-methyl-4-(1-methylpyrazol-4-yl)-2-pyridinyl]pyrrolidin-1-yl]-(5-propyl-1H-pyrazol-3-yl)methanone.
What is the SMILES notation for [3-[6-methyl-4-(1-methylpyrazol-4-yl)-2-pyridinyl]pyrrolidin-1-yl]-(5-propyl-1H-pyrazol-3-yl)methanone?
The canonical SMILES for [3-[6-methyl-4-(1-methylpyrazol-4-yl)-2-pyridinyl]pyrrolidin-1-yl]-(5-propyl-1H-pyrazol-3-yl)methanone is CCCc1cc(C(=O)N2CCC(c3cc(-c4cnn(C)c4)cc(C)n3)C2)n[nH]1.
What is the InChIKey of [3-[6-methyl-4-(1-methylpyrazol-4-yl)-2-pyridinyl]pyrrolidin-1-yl]-(5-propyl-1H-pyrazol-3-yl)methanone?
The InChIKey is YFFSYLDTZXRIBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O/c1-4-5-18-10-20(25-24-18)21(28)27-7-6-15(13-27)19-9-16(8-14(2)23-19)17-11-22-26(3)12-17/h8-12,15H,4-7,13H2,1-3H3,(H,24,25).
What are the key properties of [3-[6-methyl-4-(1-methylpyrazol-4-yl)-2-pyridinyl]pyrrolidin-1-yl]-(5-propyl-1H-pyrazol-3-yl)methanone?
[3-[6-methyl-4-(1-methylpyrazol-4-yl)-2-pyridinyl]pyrrolidin-1-yl]-(5-propyl-1H-pyrazol-3-yl)methanone has a molecular weight of 378.48 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[6-methyl-4-(1-methylpyrazol-4-yl)-2-pyridinyl]pyrrolidin-1-yl]-(5-propyl-1H-pyrazol-3-yl)methanone is sourced from PubChem (CID 121279427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).