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

C20H24N6O — CID 121279713

IUPAC[3-[6-methyl-4-(1H-pyrazol-5-yl)-2-pyridinyl]pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone
SMILESCc1cc(-c2ccn[nH]2)cc(C2CCN(C(=O)c3cc(C(C)C)[nH]n3)C2)n1
InChIInChI=1S/C20H24N6O/c1-12(2)17-10-19(25-24-17)20(27)26-7-5-14(11-26)18-9-15(8-13(3)22-18)16-4-6-21-23-16/h4,6,8-10,12,14H,5,7,11H2,1-3H3,(H,21,23)(H,24,25)
InChIKeyKYAHWPYRFJRPDO-UHFFFAOYSA-N
MW364.45 g/mol
LogP3.26
Rot. Bonds4

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

[3-[6-methyl-4-(1H-pyrazol-5-yl)-2-pyridinyl]pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone (PubChem CID 121279713) has the molecular formula C20H24N6O and a molecular weight of 364.45 g/mol. Its IUPAC name is [3-[6-methyl-4-(1H-pyrazol-5-yl)-2-pyridinyl]pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone.

Molecular Properties

Compound Name[3-[6-methyl-4-(1H-pyrazol-5-yl)-2-pyridinyl]pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone
PubChem CID121279713
Molecular FormulaC20H24N6O
Molecular Weight364.45 g/mol
Exact Mass364.20
IUPAC Name[3-[6-methyl-4-(1H-pyrazol-5-yl)-2-pyridinyl]pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone
SMILESCc1cc(-c2ccn[nH]2)cc(C2CCN(C(=O)c3cc(C(C)C)[nH]n3)C2)n1
InChIInChI=1S/C20H24N6O/c1-12(2)17-10-19(25-24-17)20(27)26-7-5-14(11-26)18-9-15(8-13(3)22-18)16-4-6-21-23-16/h4,6,8-10,12,14H,5,7,11H2,1-3H3,(H,21,23)(H,24,25)
InChIKeyKYAHWPYRFJRPDO-UHFFFAOYSA-N
XLogP3.26
TPSA90.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-[6-methyl-4-(1H-pyrazol-5-yl)-2-pyridinyl]pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone?
The IUPAC name of [3-[6-methyl-4-(1H-pyrazol-5-yl)-2-pyridinyl]pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone (CID 121279713) is [3-[6-methyl-4-(1H-pyrazol-5-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-(1H-pyrazol-5-yl)-2-pyridinyl]pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone?
The canonical SMILES for [3-[6-methyl-4-(1H-pyrazol-5-yl)-2-pyridinyl]pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone is Cc1cc(-c2ccn[nH]2)cc(C2CCN(C(=O)c3cc(C(C)C)[nH]n3)C2)n1.
What is the InChIKey of [3-[6-methyl-4-(1H-pyrazol-5-yl)-2-pyridinyl]pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone?
The InChIKey is KYAHWPYRFJRPDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O/c1-12(2)17-10-19(25-24-17)20(27)26-7-5-14(11-26)18-9-15(8-13(3)22-18)16-4-6-21-23-16/h4,6,8-10,12,14H,5,7,11H2,1-3H3,(H,21,23)(H,24,25).
What are the key properties of [3-[6-methyl-4-(1H-pyrazol-5-yl)-2-pyridinyl]pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone?
[3-[6-methyl-4-(1H-pyrazol-5-yl)-2-pyridinyl]pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone has a molecular weight of 364.45 g/mol, XLogP of 3.26, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[6-methyl-4-(1H-pyrazol-5-yl)-2-pyridinyl]pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone is sourced from PubChem (CID 121279713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).