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

C21H24N6O — CID 121279428

IUPAC(5-cyclopropyl-1H-pyrazol-3-yl)-[3-[6-methyl-4-(1-methylpyrazol-4-yl)-2-pyridinyl]pyrrolidin-1-yl]methanone
SMILESCc1cc(-c2cnn(C)c2)cc(C2CCN(C(=O)c3cc(C4CC4)[nH]n3)C2)n1
InChIInChI=1S/C21H24N6O/c1-13-7-16(17-10-22-26(2)11-17)8-18(23-13)15-5-6-27(12-15)21(28)20-9-19(24-25-20)14-3-4-14/h7-11,14-15H,3-6,12H2,1-2H3,(H,24,25)
InChIKeyWCOMCPYVSHGEPF-UHFFFAOYSA-N
MW376.46 g/mol
LogP3.02
Rot. Bonds4

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

(5-cyclopropyl-1H-pyrazol-3-yl)-[3-[6-methyl-4-(1-methylpyrazol-4-yl)-2-pyridinyl]pyrrolidin-1-yl]methanone (PubChem CID 121279428) has the molecular formula C21H24N6O and a molecular weight of 376.46 g/mol. Its IUPAC name is (5-cyclopropyl-1H-pyrazol-3-yl)-[3-[6-methyl-4-(1-methylpyrazol-4-yl)-2-pyridinyl]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(5-cyclopropyl-1H-pyrazol-3-yl)-[3-[6-methyl-4-(1-methylpyrazol-4-yl)-2-pyridinyl]pyrrolidin-1-yl]methanone
PubChem CID121279428
Molecular FormulaC21H24N6O
Molecular Weight376.46 g/mol
Exact Mass376.20
IUPAC Name(5-cyclopropyl-1H-pyrazol-3-yl)-[3-[6-methyl-4-(1-methylpyrazol-4-yl)-2-pyridinyl]pyrrolidin-1-yl]methanone
SMILESCc1cc(-c2cnn(C)c2)cc(C2CCN(C(=O)c3cc(C4CC4)[nH]n3)C2)n1
InChIInChI=1S/C21H24N6O/c1-13-7-16(17-10-22-26(2)11-17)8-18(23-13)15-5-6-27(12-15)21(28)20-9-19(24-25-20)14-3-4-14/h7-11,14-15H,3-6,12H2,1-2H3,(H,24,25)
InChIKeyWCOMCPYVSHGEPF-UHFFFAOYSA-N
XLogP3.02
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5-cyclopropyl-1H-pyrazol-3-yl)-[3-[6-methyl-4-(1-methylpyrazol-4-yl)-2-pyridinyl]pyrrolidin-1-yl]methanone?
The IUPAC name of (5-cyclopropyl-1H-pyrazol-3-yl)-[3-[6-methyl-4-(1-methylpyrazol-4-yl)-2-pyridinyl]pyrrolidin-1-yl]methanone (CID 121279428) is (5-cyclopropyl-1H-pyrazol-3-yl)-[3-[6-methyl-4-(1-methylpyrazol-4-yl)-2-pyridinyl]pyrrolidin-1-yl]methanone.
What is the SMILES notation for (5-cyclopropyl-1H-pyrazol-3-yl)-[3-[6-methyl-4-(1-methylpyrazol-4-yl)-2-pyridinyl]pyrrolidin-1-yl]methanone?
The canonical SMILES for (5-cyclopropyl-1H-pyrazol-3-yl)-[3-[6-methyl-4-(1-methylpyrazol-4-yl)-2-pyridinyl]pyrrolidin-1-yl]methanone is Cc1cc(-c2cnn(C)c2)cc(C2CCN(C(=O)c3cc(C4CC4)[nH]n3)C2)n1.
What is the InChIKey of (5-cyclopropyl-1H-pyrazol-3-yl)-[3-[6-methyl-4-(1-methylpyrazol-4-yl)-2-pyridinyl]pyrrolidin-1-yl]methanone?
The InChIKey is WCOMCPYVSHGEPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O/c1-13-7-16(17-10-22-26(2)11-17)8-18(23-13)15-5-6-27(12-15)21(28)20-9-19(24-25-20)14-3-4-14/h7-11,14-15H,3-6,12H2,1-2H3,(H,24,25).
What are the key properties of (5-cyclopropyl-1H-pyrazol-3-yl)-[3-[6-methyl-4-(1-methylpyrazol-4-yl)-2-pyridinyl]pyrrolidin-1-yl]methanone?
(5-cyclopropyl-1H-pyrazol-3-yl)-[3-[6-methyl-4-(1-methylpyrazol-4-yl)-2-pyridinyl]pyrrolidin-1-yl]methanone has a molecular weight of 376.46 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-cyclopropyl-1H-pyrazol-3-yl)-[3-[6-methyl-4-(1-methylpyrazol-4-yl)-2-pyridinyl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 121279428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).