[5-cyclopropyl-1-[4-(furan-2-yl)pyrimidin-2-yl]pyrazol-4-yl]-[3-(diethylamino)pyrrolidin-1-yl]methanone

C23H28N6O2 — CID 45234914

IUPAC[5-cyclopropyl-1-[4-(furan-2-yl)pyrimidin-2-yl]pyrazol-4-yl]-[3-(diethylamino)pyrrolidin-1-yl]methanone
SMILESCCN(CC)C1CCN(C(=O)c2cnn(-c3nccc(-c4ccco4)n3)c2C2CC2)C1
InChIInChI=1S/C23H28N6O2/c1-3-27(4-2)17-10-12-28(15-17)22(30)18-14-25-29(21(18)16-7-8-16)23-24-11-9-19(26-23)20-6-5-13-31-20/h5-6,9,11,13-14,16-17H,3-4,7-8,10,12,15H2,1-2H3
InChIKeyGORYQZVAPVECNA-UHFFFAOYSA-N
MW420.52 g/mol
LogP3.36
Rot. Bonds7

About [5-cyclopropyl-1-[4-(furan-2-yl)pyrimidin-2-yl]pyrazol-4-yl]-[3-(diethylamino)pyrrolidin-1-yl]methanone

[5-cyclopropyl-1-[4-(furan-2-yl)pyrimidin-2-yl]pyrazol-4-yl]-[3-(diethylamino)pyrrolidin-1-yl]methanone (PubChem CID 45234914) has the molecular formula C23H28N6O2 and a molecular weight of 420.52 g/mol. Its IUPAC name is [5-cyclopropyl-1-[4-(furan-2-yl)pyrimidin-2-yl]pyrazol-4-yl]-[3-(diethylamino)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[5-cyclopropyl-1-[4-(furan-2-yl)pyrimidin-2-yl]pyrazol-4-yl]-[3-(diethylamino)pyrrolidin-1-yl]methanone
PubChem CID45234914
Molecular FormulaC23H28N6O2
Molecular Weight420.52 g/mol
Exact Mass420.23
IUPAC Name[5-cyclopropyl-1-[4-(furan-2-yl)pyrimidin-2-yl]pyrazol-4-yl]-[3-(diethylamino)pyrrolidin-1-yl]methanone
SMILESCCN(CC)C1CCN(C(=O)c2cnn(-c3nccc(-c4ccco4)n3)c2C2CC2)C1
InChIInChI=1S/C23H28N6O2/c1-3-27(4-2)17-10-12-28(15-17)22(30)18-14-25-29(21(18)16-7-8-16)23-24-11-9-19(26-23)20-6-5-13-31-20/h5-6,9,11,13-14,16-17H,3-4,7-8,10,12,15H2,1-2H3
InChIKeyGORYQZVAPVECNA-UHFFFAOYSA-N
XLogP3.36
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.52
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [5-cyclopropyl-1-[4-(furan-2-yl)pyrimidin-2-yl]pyrazol-4-yl]-[3-(diethylamino)pyrrolidin-1-yl]methanone?
The IUPAC name of [5-cyclopropyl-1-[4-(furan-2-yl)pyrimidin-2-yl]pyrazol-4-yl]-[3-(diethylamino)pyrrolidin-1-yl]methanone (CID 45234914) is [5-cyclopropyl-1-[4-(furan-2-yl)pyrimidin-2-yl]pyrazol-4-yl]-[3-(diethylamino)pyrrolidin-1-yl]methanone.
What is the SMILES notation for [5-cyclopropyl-1-[4-(furan-2-yl)pyrimidin-2-yl]pyrazol-4-yl]-[3-(diethylamino)pyrrolidin-1-yl]methanone?
The canonical SMILES for [5-cyclopropyl-1-[4-(furan-2-yl)pyrimidin-2-yl]pyrazol-4-yl]-[3-(diethylamino)pyrrolidin-1-yl]methanone is CCN(CC)C1CCN(C(=O)c2cnn(-c3nccc(-c4ccco4)n3)c2C2CC2)C1.
What is the InChIKey of [5-cyclopropyl-1-[4-(furan-2-yl)pyrimidin-2-yl]pyrazol-4-yl]-[3-(diethylamino)pyrrolidin-1-yl]methanone?
The InChIKey is GORYQZVAPVECNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6O2/c1-3-27(4-2)17-10-12-28(15-17)22(30)18-14-25-29(21(18)16-7-8-16)23-24-11-9-19(26-23)20-6-5-13-31-20/h5-6,9,11,13-14,16-17H,3-4,7-8,10,12,15H2,1-2H3.
What are the key properties of [5-cyclopropyl-1-[4-(furan-2-yl)pyrimidin-2-yl]pyrazol-4-yl]-[3-(diethylamino)pyrrolidin-1-yl]methanone?
[5-cyclopropyl-1-[4-(furan-2-yl)pyrimidin-2-yl]pyrazol-4-yl]-[3-(diethylamino)pyrrolidin-1-yl]methanone has a molecular weight of 420.52 g/mol, XLogP of 3.36, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-cyclopropyl-1-[4-(furan-2-yl)pyrimidin-2-yl]pyrazol-4-yl]-[3-(diethylamino)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 45234914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).