[5-cyclopropyl-1-[4-(furan-2-yl)pyrimidin-2-yl]pyrazol-4-yl]-(4-methyl-1,4-diazepan-1-yl)methanone

C21H24N6O2 — CID 26357972

IUPAC[5-cyclopropyl-1-[4-(furan-2-yl)pyrimidin-2-yl]pyrazol-4-yl]-(4-methyl-1,4-diazepan-1-yl)methanone
SMILESCN1CCCN(C(=O)c2cnn(-c3nccc(-c4ccco4)n3)c2C2CC2)CC1
InChIInChI=1S/C21H24N6O2/c1-25-9-3-10-26(12-11-25)20(28)16-14-23-27(19(16)15-5-6-15)21-22-8-7-17(24-21)18-4-2-13-29-18/h2,4,7-8,13-15H,3,5-6,9-12H2,1H3
InChIKeyAYWLPCHDQPQIEG-UHFFFAOYSA-N
MW392.46 g/mol
LogP2.58
Rot. Bonds4

About [5-cyclopropyl-1-[4-(furan-2-yl)pyrimidin-2-yl]pyrazol-4-yl]-(4-methyl-1,4-diazepan-1-yl)methanone

[5-cyclopropyl-1-[4-(furan-2-yl)pyrimidin-2-yl]pyrazol-4-yl]-(4-methyl-1,4-diazepan-1-yl)methanone (PubChem CID 26357972) has the molecular formula C21H24N6O2 and a molecular weight of 392.46 g/mol. Its IUPAC name is [5-cyclopropyl-1-[4-(furan-2-yl)pyrimidin-2-yl]pyrazol-4-yl]-(4-methyl-1,4-diazepan-1-yl)methanone.

Molecular Properties

Compound Name[5-cyclopropyl-1-[4-(furan-2-yl)pyrimidin-2-yl]pyrazol-4-yl]-(4-methyl-1,4-diazepan-1-yl)methanone
PubChem CID26357972
Molecular FormulaC21H24N6O2
Molecular Weight392.46 g/mol
Exact Mass392.20
IUPAC Name[5-cyclopropyl-1-[4-(furan-2-yl)pyrimidin-2-yl]pyrazol-4-yl]-(4-methyl-1,4-diazepan-1-yl)methanone
SMILESCN1CCCN(C(=O)c2cnn(-c3nccc(-c4ccco4)n3)c2C2CC2)CC1
InChIInChI=1S/C21H24N6O2/c1-25-9-3-10-26(12-11-25)20(28)16-14-23-27(19(16)15-5-6-15)21-22-8-7-17(24-21)18-4-2-13-29-18/h2,4,7-8,13-15H,3,5-6,9-12H2,1H3
InChIKeyAYWLPCHDQPQIEG-UHFFFAOYSA-N
XLogP2.58
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 52.58
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]-(4-methyl-1,4-diazepan-1-yl)methanone?
The IUPAC name of [5-cyclopropyl-1-[4-(furan-2-yl)pyrimidin-2-yl]pyrazol-4-yl]-(4-methyl-1,4-diazepan-1-yl)methanone (CID 26357972) is [5-cyclopropyl-1-[4-(furan-2-yl)pyrimidin-2-yl]pyrazol-4-yl]-(4-methyl-1,4-diazepan-1-yl)methanone.
What is the SMILES notation for [5-cyclopropyl-1-[4-(furan-2-yl)pyrimidin-2-yl]pyrazol-4-yl]-(4-methyl-1,4-diazepan-1-yl)methanone?
The canonical SMILES for [5-cyclopropyl-1-[4-(furan-2-yl)pyrimidin-2-yl]pyrazol-4-yl]-(4-methyl-1,4-diazepan-1-yl)methanone is CN1CCCN(C(=O)c2cnn(-c3nccc(-c4ccco4)n3)c2C2CC2)CC1.
What is the InChIKey of [5-cyclopropyl-1-[4-(furan-2-yl)pyrimidin-2-yl]pyrazol-4-yl]-(4-methyl-1,4-diazepan-1-yl)methanone?
The InChIKey is AYWLPCHDQPQIEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O2/c1-25-9-3-10-26(12-11-25)20(28)16-14-23-27(19(16)15-5-6-15)21-22-8-7-17(24-21)18-4-2-13-29-18/h2,4,7-8,13-15H,3,5-6,9-12H2,1H3.
What are the key properties of [5-cyclopropyl-1-[4-(furan-2-yl)pyrimidin-2-yl]pyrazol-4-yl]-(4-methyl-1,4-diazepan-1-yl)methanone?
[5-cyclopropyl-1-[4-(furan-2-yl)pyrimidin-2-yl]pyrazol-4-yl]-(4-methyl-1,4-diazepan-1-yl)methanone has a molecular weight of 392.46 g/mol, XLogP of 2.58, 4 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]-(4-methyl-1,4-diazepan-1-yl)methanone is sourced from PubChem (CID 26357972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).